In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 22 | 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) | 4.50 | 9.22 | -15.93 | 1 | 3 | 0 | 38 | 286.334 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.50 | 9.95 | -56.61 | 0 | 3 | -1 | 40 | 285.326 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 9.66 | -30.82 | 2 | 3 | 1 | 39 | 287.342 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.