UCSF

ZINC31965040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 1.42 3 -62.01 5 6 1 95 332.355 6
Hi High (pH 8-9.5) 1.42 2.6 -18.05 4 6 0 93 331.347 6

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