In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 22 | 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) | 3.64 | 10.06 | -41.53 | 1 | 2 | 1 | 8 | 299.413 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 10.13 | -39.79 | 1 | 2 | 1 | 8 | 299.413 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 7.75 | -3.81 | 0 | 2 | 0 | 6 | 298.405 | 4 | ↓ |