UCSF

ZINC23358594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.67 8.03 -35.56 2 4 1 37 389.947 8
Mid Mid (pH 6-8) 3.67 7.9 -31.45 2 4 1 37 389.947 8
Mid Mid (pH 6-8) 3.67 5.71 -6.37 1 4 0 36 388.939 8

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

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