UCSF

ZINC37102029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-3-(1H-tetrazol-5-yl)aniline N-[(1-methylpyrazol-4-yl)methyl]…

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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) 0.98 3.27 -45.79 1 7 -1 83 254.277 4 ↓
Lo Low (pH 4.5-6) 0.98 3.36 -12.29 2 7 0 84 255.285 4 ↓

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

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