In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 25 | 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) | 1.40 | 3.84 | -38 | 2 | 8 | 1 | 97 | 337.363 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 1.4 | -54.25 | 0 | 8 | -1 | 102 | 335.347 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.41 | -12.71 | 1 | 8 | 0 | 95 | 336.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.