UCSF

ZINC02731862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 20 No

Popular Name: 5-(2,5-Dimethyl-2H-pyrazol-3-ylmethyl)-4-(tetra-hydrofuran-2-ylmethyl)-4H-[1,2,4]triazole-3-thioll 5-(2,5-Dimethyl-2H-pyrazol-3-ylm…

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CAS Number: 1005631-17-3

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) 0.80 7.18 -15.92 1 6 0 61 293.396 4 ↓
Mid Mid (pH 6-8) 1.52 7.02 -48.79 0 6 -1 58 292.388 4 ↓

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

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