In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 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) | 3.43 | 7.83 | -59.58 | 2 | 7 | 1 | 88 | 485.413 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 5.78 | -20.98 | 1 | 7 | 0 | 87 | 484.405 | 6 | ↓ |