In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | 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) | 0.29 | 1.22 | -39.65 | 3 | 3 | 1 | 50 | 201.315 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.29 | -0.15 | -7 | 2 | 3 | 0 | 45 | 200.307 | 6 | ↓ |