In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | 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) | 0.91 | 8.21 | -112.62 | 2 | 4 | 1 | 49 | 217.333 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 5.91 | -62.42 | 1 | 4 | 0 | 48 | 216.325 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 6.07 | -52.87 | 1 | 4 | 0 | 48 | 216.325 | 9 | ↓ |