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) | 3.20 | 8.01 | -56.12 | 2 | 7 | 1 | 88 | 464.995 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 6.24 | -21.2 | 1 | 7 | 0 | 87 | 463.987 | 6 | ↓ |