In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 31 | No |
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) | 2.49 | 8.6 | -58.18 | 0 | 9 | -1 | 125 | 421.385 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.49 | 7.85 | -20 | 1 | 9 | 0 | 122 | 422.393 | 6 | ↓ |