In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 25 | 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) | 7.95 | 17.22 | -67.4 | 1 | 3 | 0 | 45 | 355.607 | 20 | ↓ |
Lo Low (pH 4.5-6) | 7.95 | 15.25 | -34.83 | 2 | 3 | 1 | 42 | 356.615 | 20 | ↓ |