In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 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) | 3.07 | 10.26 | -43.44 | 2 | 3 | 1 | 40 | 306.433 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 9.23 | -52.71 | 2 | 3 | 1 | 44 | 306.433 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 11.46 | -128.05 | 3 | 3 | 2 | 45 | 307.441 | 5 | ↓ |