In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: N-[[(3R)-3-piperidyl]methyl]-N-(3-thienylmethyl)cyclopropanamine N-[[(3R)-3-piperidyl]methyl]-N-(…
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) | 1.90 | 8.28 | -102.05 | 3 | 2 | 2 | 21 | 252.427 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 6.59 | -40.2 | 2 | 2 | 1 | 20 | 251.419 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 6.66 | -33.68 | 2 | 2 | 1 | 16 | 251.419 | 5 | ↓ |