UCSF

ZINC50032730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) 0.87 6.44 -8.64 0 4 0 53 224.304 9
Mid Mid (pH 6-8) 0.87 8.52 -53.42 1 4 1 55 225.312 9

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