In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 19 | 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) | 3.01 | 4.84 | -53.07 | 3 | 4 | 1 | 67 | 252.297 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 4.5 | -7.98 | 2 | 4 | 0 | 65 | 251.289 | 3 | ↓ |