In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 30 | No |
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) | 1.42 | 8.12 | -20 | 1 | 9 | 0 | 120 | 442.478 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 8.01 | -121.19 | 3 | 9 | 2 | 123 | 444.494 | 6 | ↓ |