UCSF

ZINC20541611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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) 2.72 6.78 -36.86 1 4 1 38 300.357 3
Mid Mid (pH 6-8) 2.72 6.5 -8.56 0 4 0 36 299.349 3

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