In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 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) | 3.01 | 4.17 | -3.05 | 0 | 4 | 0 | 25 | 284.444 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 6.17 | -38.78 | 1 | 4 | 1 | 26 | 285.452 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 6.14 | -37.6 | 1 | 4 | 1 | 26 | 285.452 | 8 | ↓ |