In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 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) | 2.11 | 7.34 | -17.61 | 0 | 9 | 0 | 94 | 419.441 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 7.66 | -47.05 | 1 | 9 | 1 | 95 | 420.449 | 4 | ↓ |