In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 20 | No |
Popular Name: 3-bromo-N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2H-pyrrole-5-carbohydrazide 3-bromo-N'-(5,6-dihydro-4H-cyclo…
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) | 1.55 | 3.08 | -7.63 | 2 | 5 | 0 | 71 | 354.229 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 1.39 | -50.25 | 1 | 5 | -1 | 77 | 353.221 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.74 | 1.25 | -47.76 | 1 | 5 | -1 | 77 | 353.221 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.