UCSF

ZINC31962646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 1.58 3.75 -57.39 4 6 1 76 340.451 5
Mid Mid (pH 6-8) 1.58 4.04 -101.33 5 6 2 77 341.459 5

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