In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 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) | 3.53 | 6.95 | -40.79 | 2 | 3 | 1 | 37 | 291.337 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 5.78 | -9.08 | 1 | 3 | 0 | 32 | 290.329 | 4 | ↓ |