UCSF

ZINC29557467

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 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) 3.85 6.85 -9.91 1 3 0 34 286.4 3
Mid Mid (pH 6-8) 3.85 7.24 -32.23 2 3 1 35 287.408 3

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

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