In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 23 | 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) | -0.73 | 0.52 | -23.19 | 2 | 9 | 0 | 108 | 338.393 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.29 | 0.24 | -57 | 1 | 9 | -1 | 121 | 337.385 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.73 | 2.68 | -65.35 | 3 | 9 | 1 | 109 | 339.401 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.