In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 3.00 | 4.08 | -44.89 | 3 | 3 | 1 | 40 | 360.341 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 3.8 | -3.12 | 2 | 3 | 0 | 38 | 359.333 | 3 | ↓ |