In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | 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) | 1.84 | 9.84 | -17.15 | 0 | 3 | 0 | 37 | 245.322 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 8.7 | -56.42 | 0 | 3 | -1 | 43 | 244.314 | 2 | ↓ |