In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 6th, 2006 | 23 | 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) | 3.75 | 7.03 | -12.47 | 1 | 4 | 0 | 52 | 307.349 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 7.35 | -37.36 | 2 | 4 | 1 | 53 | 308.357 | 4 | ↓ |