UCSF

ZINC39499940

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 25 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) 4.24 8.53 -40.6 3 4 1 54 339.459 5
Mid Mid (pH 6-8) 4.24 7.2 -9.02 2 4 0 52 338.451 5

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

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