In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 12th, 2010 | 24 | 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) | 1.72 | 6.21 | -66.84 | 3 | 7 | 1 | 83 | 350.468 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.18 | -16.45 | 2 | 7 | 0 | 81 | 349.46 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 6.37 | -62.42 | 3 | 7 | 1 | 83 | 350.468 | 3 | ↓ |