In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 30 | 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) | 1.67 | 8.65 | -64.84 | 1 | 10 | -1 | 143 | 425.45 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 6.19 | -129.6 | 0 | 10 | -2 | 146 | 424.442 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.