In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2009 | 31 | Yes |
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) | 2.79 | 6.35 | -14.15 | 0 | 6 | 0 | 53 | 439.478 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 8.7 | -65.09 | 1 | 6 | 1 | 54 | 440.486 | 3 | ↓ |