In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 29 | 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) | 1.65 | 10.93 | -49.2 | 1 | 8 | 1 | 70 | 397.503 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 8.66 | -13.08 | 0 | 8 | 0 | 68 | 396.495 | 6 | ↓ |