In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | 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) | 3.49 | 8.94 | -51.16 | 2 | 3 | 1 | 50 | 267.352 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 7.79 | -7.94 | 1 | 3 | 0 | 45 | 266.344 | 6 | ↓ |