In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 12 | Yes |
None
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) | -1.88 | 3.51 | -39.36 | 3 | 4 | 0 | 71 | 174.244 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.88 | 2.17 | -31.95 | 3 | 4 | 0 | 71 | 174.244 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.88 | 3.89 | -78.86 | 4 | 4 | 1 | 72 | 175.252 | 5 | ↓ |