UCSF

ZINC65575822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.55 7.18 -29.17 1 5 1 43 319.454 4
Lo Low (pH 4.5-6) 0.55 9.35 -102.32 2 5 2 44 320.462 4

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

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