In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 28 | 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) | 1.79 | 6.7 | -42.73 | 2 | 7 | 1 | 66 | 391.536 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.48 | -15.95 | 1 | 7 | 0 | 65 | 390.528 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 6.71 | -41.34 | 2 | 7 | 1 | 66 | 391.536 | 8 | ↓ |