In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | No |
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) | 0.50 | 7.3 | -19.06 | 0 | 4 | 0 | 51 | 221.256 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 6.15 | -56.8 | 0 | 4 | -1 | 57 | 220.248 | 4 | ↓ |