In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 12 | 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) | 2.33 | 6.46 | -51.53 | 2 | 2 | 1 | 40 | 169.292 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 5.32 | -5.88 | 1 | 2 | 0 | 36 | 168.284 | 7 | ↓ |