UCSF

ZINC19894479

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 Yes

Popular Name: 2-[(4-benzylpiperazin-1-yl)carbonyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 2-[(4-benzylpiperazin-1-yl)carbo…

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Other Names:

MFCD01924181

Download: MOL2 SDF SMILES Flexibase

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) 3.96 10.06 -11.93 1 6 0 53 469.511 5 ↓
Mid Mid (pH 6-8) 4.14 12.23 -94.49 3 6 2 59 471.527 5 ↓

Activity (Go SEA)

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