In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-amino-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-phenyl-propanamide (3S)-3-amino-N-[[(1R)-cyclohex-3…
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) | 0.60 | 5.85 | -40.4 | 4 | 3 | 1 | 57 | 259.373 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 5.48 | -7.31 | 3 | 3 | 0 | 55 | 258.365 | 5 | ↓ |