In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 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) | 3.64 | 7.5 | -36.43 | 2 | 3 | 1 | 35 | 258.341 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 6.1 | -5.08 | 1 | 3 | 0 | 30 | 257.333 | 6 | ↓ |