UCSF

ZINC21541901

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 Yes

Popular Name: (2R)-N-(4-dimethylaminophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-propanamide (2R)-N-(4-dimethylaminophenyl)-2…

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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) 4.00 9.45 -12.71 1 7 0 76 396.52 6 ↓
Lo Low (pH 4.5-6) 4.00 10.22 -88.32 2 7 0 77 397.528 6 ↓

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

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