In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2006 | 19 | 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) | 2.13 | 2.12 | -16.42 | 3 | 5 | 0 | 89 | 295.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 0.74 | -47.95 | 2 | 5 | -1 | 92 | 294.381 | 3 | ↓ |