UCSF

ZINC34753159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 28 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) 3.09 8.49 -57.78 1 5 1 59 423.555 5
Mid Mid (pH 6-8) 3.09 6.28 -14.33 0 5 0 58 422.547 5

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

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