In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 31 | Yes |
None
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) | 5.06 | 12.3 | -14.27 | 2 | 6 | 0 | 64 | 435.959 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.06 | 12.92 | -42.04 | 3 | 6 | 1 | 65 | 436.967 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.06 | 12.77 | -46.78 | 3 | 6 | 1 | 66 | 436.967 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.06 | 13.39 | -85.97 | 4 | 6 | 2 | 67 | 437.975 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.