In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 19 | Yes |
Popular Name: (5-bromo-3-thienyl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-(2-hydrox…
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) | 1.49 | 3.61 | -10.09 | 1 | 4 | 0 | 44 | 347.278 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 5.24 | -42.97 | 2 | 4 | 1 | 45 | 348.286 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.