In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 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) | 2.02 | 8.56 | -35.14 | 3 | 6 | 1 | 75 | 353.483 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 6.39 | -8.95 | 2 | 6 | 0 | 74 | 352.475 | 13 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 8.88 | -90.54 | 4 | 6 | 2 | 77 | 354.491 | 13 | ↓ |