In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 35 | 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) | 1.64 | 3.56 | -59.85 | 2 | 12 | -1 | 152 | 473.425 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 0.97 | -129.28 | 1 | 12 | -2 | 155 | 472.417 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 6.31 | -21.02 | 3 | 12 | 0 | 149 | 474.433 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 4.51 | -62.5 | 2 | 12 | -1 | 152 | 473.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.