In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | 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) | 2.68 | 8.47 | -47.95 | 2 | 4 | 1 | 50 | 292.428 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 5.77 | -44.46 | 1 | 4 | 0 | 53 | 291.42 | 3 | ↓ |