In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 25 | 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) | 4.97 | 12.9 | -57.29 | 0 | 4 | -1 | 58 | 333.411 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.97 | 13.24 | -50.08 | 1 | 4 | 0 | 59 | 334.419 | 4 | ↓ |