In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 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) | -0.49 | 0.45 | -107.15 | 5 | 3 | 2 | 52 | 174.288 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.49 | 0.05 | -30.26 | 4 | 3 | 1 | 51 | 173.28 | 3 | ↓ |