UCSF

ZINC52441456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 22 No

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) 3.25 7.19 -11.22 1 3 0 32 369.278 6
Mid Mid (pH 6-8) 3.25 9.4 -45.58 2 3 1 34 370.286 6

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

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