In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2006 | 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) | 3.98 | 9.25 | -44.93 | 1 | 3 | 1 | 23 | 319.252 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 7.87 | -4.69 | 0 | 3 | 0 | 22 | 318.244 | 7 | ↓ |