In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 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) | 4.24 | 7.14 | -45.7 | 0 | 4 | -1 | 61 | 394.295 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 7.37 | -14.73 | 1 | 4 | 0 | 62 | 395.303 | 3 | ↓ |