In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 7.50 | 15.56 | -12.04 | 1 | 4 | 0 | 47 | 514.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 7.50 | 16.17 | -32.84 | 2 | 4 | 1 | 48 | 515.464 | 7 | ↓ |