In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2008 | 14 | 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) | 3.37 | 4.02 | -3.37 | 2 | 3 | 0 | 51 | 243.744 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 3.43 | -36.04 | 3 | 3 | 1 | 53 | 244.752 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 3.89 | -39.08 | 3 | 3 | 1 | 53 | 244.752 | 1 | ↓ |