In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 15 | Yes |
Popular Name: (1S,2S)-2-[4-(hydroxymethyl)-1-piperidyl]cyclopentanecarbonitrile (1S,2S)-2-[4-(hydroxymethyl)-1-p…
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) | 1.53 | 4.74 | -43.67 | 2 | 3 | 1 | 48 | 209.313 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 2.55 | -6.93 | 1 | 3 | 0 | 47 | 208.305 | 2 | ↓ |