UCSF

ZINC39675881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 No

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) 3.03 10.69 -120.56 4 7 2 80 535.516 7
Hi High (pH 8-9.5) 3.03 7.64 -65.39 3 7 1 78 534.508 7

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