In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 18 | 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) | 5.05 | 8.63 | -29.83 | 1 | 1 | 1 | 4 | 264.458 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.05 | 8.53 | -1.18 | 0 | 1 | 0 | 3 | 263.45 | 2 | ↓ |