In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 31 | 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) | 3.84 | 13.48 | -33.91 | 1 | 4 | 1 | 38 | 410.541 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 13.85 | -101.72 | 2 | 4 | 2 | 39 | 411.549 | 2 | ↓ |