In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2004 | 22 | 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) | 4.52 | 12.12 | -10.84 | 0 | 3 | 0 | 27 | 294.398 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 12.6 | -35.43 | 1 | 3 | 1 | 28 | 295.406 | 6 | ↓ |