In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | No |
None
None
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) | 2.73 | 4.91 | -13.16 | 0 | 9 | 0 | 83 | 496.56 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 7.18 | -53.08 | 1 | 9 | 1 | 84 | 497.568 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 7.76 | -57.75 | 1 | 9 | 1 | 84 | 497.568 | 7 | ↓ |