UCSF

ZINC49567639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 0.42 3.89 -77.57 4 4 2 41 255.406 5
Hi High (pH 8-9.5) 0.42 1.37 -34.34 3 4 1 40 254.398 5
Mid Mid (pH 6-8) 0.42 2.53 -105.91 4 4 2 45 255.406 5

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

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