In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2007 | 24 | 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) | 1.78 | 1.12 | -15.45 | 0 | 8 | 0 | 92 | 332.36 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 2.03 | -35.98 | 1 | 8 | 1 | 92 | 333.368 | 3 | ↓ |