In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 19 | 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) | 3.04 | 3.36 | -41.24 | 2 | 4 | -1 | 74 | 316.189 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 3.31 | -7.3 | 3 | 4 | 0 | 72 | 317.197 | 3 | ↓ |