In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 16 | 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) | -0.22 | 5.35 | -36.93 | 2 | 4 | 0 | 70 | 236.296 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 4.26 | -52.44 | 1 | 4 | -1 | 65 | 235.288 | 4 | ↓ |