In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 17 | 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) | 1.88 | 8.27 | -43.26 | 2 | 2 | 1 | 40 | 229.347 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 7.63 | -7.33 | 1 | 2 | 0 | 36 | 228.339 | 4 | ↓ |