In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 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) | 4.94 | 10.2 | -5.56 | 2 | 3 | 0 | 44 | 312.587 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.94 | 10.67 | -29.12 | 3 | 3 | 1 | 45 | 313.595 | 1 | ↓ |