In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | Yes |
Popular Name: N-[[(3R,4S)-1-(1-adamantylmethyl)-3-fluoro-4-piperidyl]methyl]-3,5-dichloro-benzamide N-[[(3R,4S)-1-(1-adamantylmethyl…
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) | 6.17 | 13.46 | -50.96 | 2 | 3 | 1 | 34 | 454.437 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.17 | 11.76 | -8.18 | 1 | 3 | 0 | 32 | 453.429 | 5 | ↓ |