In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 13 | 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) | 2.31 | 4.42 | -43.78 | 3 | 2 | 1 | 37 | 178.255 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 4.94 | -31.98 | 2 | 2 | 0 | 40 | 177.247 | 4 | ↓ |