In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 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) | 3.08 | 8.08 | -37.07 | 1 | 3 | 1 | 17 | 271.384 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 8.01 | -37.2 | 1 | 3 | 1 | 17 | 271.384 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 5.62 | -5.71 | 0 | 3 | 0 | 16 | 270.376 | 4 | ↓ |