In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 30 | 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) | 1.16 | 7.42 | -25.62 | 2 | 9 | 0 | 115 | 449.537 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 4.33 | -50.64 | 3 | 9 | 1 | 123 | 450.545 | 8 | ↓ |