In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: 4-(aminomethyl)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]benzamide 4-(aminomethyl)-N-[[(1S)-cyclohe…
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) | 2.12 | 4.95 | -54.64 | 4 | 3 | 1 | 57 | 245.346 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 4.54 | -7.6 | 3 | 3 | 0 | 55 | 244.338 | 4 | ↓ |