UCSF

ZINC53548225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 22 Yes

Popular Name: 4-amino-2-[(5-chloro-1-methyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile 4-amino-2-[(5-chloro-1-methyl-be…

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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) 2.74 6.9 -11.61 2 6 0 93 330.804 3 ↓
Lo Low (pH 4.5-6) 2.74 7.34 -35.07 3 6 1 95 331.812 3 ↓

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

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