In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 24 | Yes |
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) | 3.65 | 5.85 | -43.52 | 1 | 5 | -1 | 78 | 350.37 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 6.95 | -14.04 | 2 | 5 | 0 | 75 | 351.378 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 6.4 | -20.43 | 2 | 5 | 0 | 75 | 351.378 | 4 | ↓ |