In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2006 | 34 | 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) | 2.81 | 8.49 | -30.25 | 1 | 8 | 0 | 93 | 503.024 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 10.33 | -79.52 | 0 | 8 | -1 | 95 | 502.016 | 5 | ↓ |