In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: [(3S)-1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3-piperidyl]methanol [(3S)-1-[3-(aminomethyl)-6,7-dih…
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) | 1.29 | 3.95 | -103.92 | 5 | 4 | 2 | 65 | 263.385 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.53 | -53.9 | 4 | 4 | 1 | 64 | 262.377 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.53 | -24.47 | 4 | 4 | 1 | 64 | 262.377 | 3 | ↓ |