UCSF

ZINC53299966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 20 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) 3.59 6.84 -44.49 3 2 1 31 275.46 5
Mid Mid (pH 6-8) 3.59 8.67 -117.81 4 2 2 32 276.468 5

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

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