In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2011 | 19 | 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) | 0.36 | 5.64 | -52.58 | 2 | 6 | -1 | 96 | 263.273 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 5.46 | -56.11 | 3 | 6 | 0 | 97 | 264.281 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 6.9 | -37.46 | 3 | 6 | 0 | 97 | 264.281 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.