In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 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) | 2.06 | 5.56 | -45.43 | 3 | 4 | 1 | 59 | 259.329 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.06 | 5.2 | -10.25 | 2 | 4 | 0 | 54 | 258.321 | 3 | ↓ |