In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 29 | 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) | 1.35 | -2.33 | -13.45 | 0 | 7 | 0 | 66 | 402.539 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.35 | -2.19 | -39.41 | 1 | 7 | 1 | 67 | 403.547 | 9 | ↓ |