In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2011 | 23 | Yes |
None
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) | 2.59 | 8.97 | -46.97 | 2 | 4 | 1 | 46 | 306.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 6.51 | -10.62 | 1 | 4 | 0 | 45 | 305.381 | 4 | ↓ |