In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 24th, 2008 | 20 | No |
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) | 3.27 | 8.75 | -15.38 | 3 | 4 | 0 | 53 | 294.468 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 9.22 | -43.82 | 4 | 4 | 1 | 54 | 295.476 | 9 | ↓ |