UCSF

ZINC54931335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 1.54 4.68 -11.99 3 6 0 82 240.27 2
Mid Mid (pH 6-8) 1.54 4.96 -28.58 4 6 1 83 241.278 2
Lo Low (pH 4.5-6) 1.54 4.99 -86.91 5 6 2 84 242.286 2

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

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