In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 22 | 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) | 3.99 | 8.43 | -10.49 | 3 | 6 | 0 | 90 | 305.426 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.99 | 8.4 | -33.72 | 4 | 6 | 1 | 91 | 306.434 | 9 | ↓ |