In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 16 | No |
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) | -0.93 | 1.44 | -8.74 | 1 | 6 | 0 | 85 | 219.2 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.47 | -1.22 | -35.77 | 0 | 6 | -1 | 88 | 218.192 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.93 | 1.91 | -38.68 | 2 | 6 | 1 | 86 | 220.208 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.