UCSF

ZINC38738943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 32 No

Popular Name: 5-[(E)-2-(4-fluorophenyl)vinyl]-2-[[4-(1-methyl-2,3-dihydropyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1 5-[(E)-2-(4-fluorophenyl)vinyl]-…

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Vendors

Physical Representations

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) 1.66 11.01 -40.69 3 9 1 82 454.559 5 ↓
Mid Mid (pH 6-8) 1.66 12.74 -52.36 3 9 1 82 454.559 5 ↓
Mid Mid (pH 6-8) 1.66 13.23 -94.54 4 9 2 84 455.567 5 ↓
Mid Mid (pH 6-8) 1.66 10.53 -19 2 9 0 81 453.551 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.