UCSF

ZINC53385531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 1.93 4.34 -50.02 2 4 1 51 301.476 4
Mid Mid (pH 6-8) 1.93 5.52 -149.03 3 4 2 55 302.484 4

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

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