UCSF

ZINC39307017

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 Yes

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) 5.03 12.34 -7.45 0 3 0 30 357.453 5
Mid Mid (pH 6-8) 5.03 14.49 -43.14 1 3 1 31 358.461 5

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