UCSF

ZINC21513178

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 3.87 8.41 -33.6 2 2 1 16 302.269 4
Mid Mid (pH 6-8) 3.87 7.29 -39.99 2 2 1 20 302.269 4

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