In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 30 | 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) | 1.33 | 4.93 | -15.87 | 1 | 8 | 0 | 80 | 411.506 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 7.19 | -50.1 | 2 | 8 | 1 | 81 | 412.514 | 6 | ↓ |