In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 20 | 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) | 3.84 | 9.26 | -38.39 | 2 | 3 | 1 | 50 | 267.352 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 8.16 | -8.77 | 1 | 3 | 0 | 45 | 266.344 | 5 | ↓ |