In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 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) | 1.08 | -0.77 | -24.45 | 1 | 10 | 0 | 122 | 475.589 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 1.36 | -51.92 | 2 | 10 | 1 | 124 | 476.597 | 7 | ↓ |