In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 14 | 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) | 1.42 | 3.1 | -8.1 | 1 | 3 | 0 | 46 | 189.214 | 1 | ↓ |
Ref Reference (pH 7) | 1.42 | 3.09 | -8.09 | 1 | 3 | 0 | 46 | 189.214 | 1 | ↓ |
Ref Reference (pH 7) | 1.42 | 3.39 | -7.79 | 1 | 3 | 0 | 46 | 189.214 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 0.57 | -43.75 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 0.56 | -43.93 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 0.86 | -43.95 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 0.86 | -43.94 | 0 | 3 | -1 | 52 | 188.206 | 1 | ↓ |