In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | No |
Popular Name: 2-[[(3S)-1-ethyl-3-piperidyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[[(3S)-1-ethyl-3-piperidyl]ami…
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) | 2.32 | 7.78 | -40.12 | 4 | 4 | 1 | 55 | 305.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 8.11 | -92.85 | 5 | 4 | 2 | 57 | 306.479 | 4 | ↓ |