In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 34 | 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) | 0.99 | 6.72 | -25.37 | 3 | 10 | 0 | 135 | 503.585 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 5.51 | -56.05 | 2 | 10 | -1 | 141 | 502.577 | 11 | ↓ |