UCSF

ZINC53298560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 16 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) 0.00 5.38 -94.97 3 4 2 41 227.352 5
Mid Mid (pH 6-8) 0.00 4.09 -37.43 2 4 1 37 226.344 5

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

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