UCSF

ZINC23043298

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 Yes

Popular Name: N-tert-butyl-2-[4-(4-cyano-3-methyl-pyrido[1,6-a]benzimidazol-1-yl)piperazin-1-yl]acetamide N-tert-butyl-2-[4-(4-cyano-3-met…

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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) 3.80 11.02 -67.68 2 7 1 78 405.526 4 ↓
Hi High (pH 8-9.5) 3.80 8.8 -18.67 1 7 0 77 404.518 4 ↓
Lo Low (pH 4.5-6) 3.80 11.42 -96.33 3 7 2 79 406.534 4 ↓
Lo Low (pH 4.5-6) 3.80 10.4 -29.27 2 7 1 78 405.526 4 ↓

Activity (Go SEA)

Rings

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

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