In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 32 | 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) | 3.42 | 11.76 | -14.68 | 1 | 8 | 0 | 80 | 437.544 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 11.37 | -38.54 | 2 | 8 | 1 | 81 | 438.552 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 12.11 | -41.12 | 2 | 8 | 1 | 81 | 438.552 | 4 | ↓ |