In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 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) | 1.93 | 10.54 | -24.42 | 1 | 9 | 0 | 103 | 402.393 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 9.35 | -47.08 | 0 | 9 | -1 | 110 | 401.385 | 3 | ↓ |