In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2006 | 40 | No |
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) | 3.49 | -1.31 | -57.86 | 2 | 9 | 1 | 98 | 543.596 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.91 | -1.42 | -67.8 | 1 | 9 | 1 | 95 | 543.596 | 8 | ↓ |