In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2008 | 25 | 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) | 3.90 | 9.9 | -41.77 | 1 | 3 | 1 | 17 | 359.49 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 7.53 | -5.26 | 0 | 3 | 0 | 16 | 358.482 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 8.96 | -38.68 | 1 | 3 | 1 | 17 | 359.49 | 2 | ↓ |