In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | No |
Popular Name: 2-[(2S)-2-(hydroxymethyl)-1-piperidyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[(2S)-2-(hydroxymethyl)-1-pipe…
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) | 2.03 | 5.18 | -30.91 | 4 | 4 | 1 | 64 | 292.428 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 4.72 | -11.38 | 3 | 4 | 0 | 62 | 291.42 | 3 | ↓ |