In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2008 | 29 | Yes |
Popular Name: LS-125391 LS-125391
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) | 3.75 | 10.33 | -43.27 | 1 | 5 | 1 | 43 | 397.539 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 10.97 | -45.87 | 1 | 5 | 1 | 43 | 397.539 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 8.99 | -8.25 | 0 | 5 | 0 | 42 | 396.531 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.