In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 32 | 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) | 2.57 | 9.83 | -54.51 | 2 | 8 | 1 | 87 | 457.576 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 7.39 | -21.73 | 1 | 8 | 0 | 86 | 456.568 | 7 | ↓ |