UCSF

ZINC49431812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.43 0.4 -13.16 2 7 0 91 276.296 4
Hi High (pH 8-9.5) 0.62 -2.25 -44.29 1 7 -1 98 275.288 4
Lo Low (pH 4.5-6) 0.43 0.85 -43.46 3 7 1 93 277.304 4

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

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