UCSF

ZINC13544225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

Popular Name: 2-(4-fluorophenyl)-5-propyl-4-[(E)-[(2S)-tetrahydrofuran-2-yl]methyliminomethyl]pyrazol-3-ol 2-(4-fluorophenyl)-5-propyl-4-[(…

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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) 2.64 7.88 -18.4 1 5 0 56 331.391 6 ↓
Hi High (pH 8-9.5) 3.16 5.07 -8.27 1 5 0 60 331.391 6 ↓
Hi High (pH 8-9.5) 3.16 4.5 -8.15 1 5 0 60 331.391 6 ↓

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

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