In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | No |
Popular Name: 2-[2-(2-thienyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[2-(2-thienyl)ethylamino]-6,7-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.23 | 7.5 | -13.2 | 3 | 3 | 0 | 51 | 303.456 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 7.83 | -37.14 | 4 | 3 | 1 | 52 | 304.464 | 5 | ↓ |
Popular Name: 2-(1-piperidyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(1-piperidyl)-6,7-dihydro-5H-c…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.68 | 7.83 | -32.06 | 3 | 3 | 1 | 43 | 262.402 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 7.41 | -11.04 | 2 | 3 | 0 | 42 | 261.394 | 2 | ↓ |
Popular Name: 2-(4-propylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(4-propylpiperazin-1-yl)-6,7-d…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.54 | 8.64 | -31.15 | 3 | 4 | 1 | 47 | 305.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 6.42 | -11.38 | 2 | 4 | 0 | 45 | 304.463 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 9.06 | -85.3 | 4 | 4 | 2 | 48 | 306.479 | 4 | ↓ |