UCSF

ZINC25501195

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 36 Yes

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) 7.38 15.64 -28.29 1 4 1 34 492.046 5
Mid Mid (pH 6-8) 7.38 17.43 -101.42 2 4 2 35 493.054 5
Mid Mid (pH 6-8) 7.38 15.5 -9.57 0 4 0 32 491.038 5
Mid Mid (pH 6-8) 7.38 17.3 -40.84 1 4 1 33 492.046 5

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

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