In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2009 | 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) | 3.65 | 9.72 | -13.93 | 1 | 6 | 0 | 58 | 431.536 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 11.98 | -52.58 | 2 | 6 | 1 | 59 | 432.544 | 4 | ↓ |