In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 26 | 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) | 2.35 | 4.13 | -10.8 | 3 | 7 | 0 | 106 | 354.41 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 4.48 | -57.24 | 4 | 7 | 1 | 108 | 355.418 | 6 | ↓ |