In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 18 | 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) | 2.92 | 9.35 | -35.32 | 2 | 3 | 1 | 39 | 245.346 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 8.89 | -9.73 | 1 | 3 | 0 | 38 | 244.338 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 8.87 | -9.22 | 1 | 3 | 0 | 38 | 244.338 | 8 | ↓ |