UCSF

ZINC13797138

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.89 14.74 -42.5 1 5 1 41 429.588 6
Mid Mid (pH 6-8) 4.89 12.38 -13.4 0 5 0 40 428.58 6

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

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