In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 33 | 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) | 3.17 | 4.6 | -13.09 | 1 | 6 | 0 | 74 | 493.498 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 6.73 | -51.92 | 2 | 6 | 1 | 75 | 494.506 | 7 | ↓ |