UCSF

ZINC24872763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 32 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) 1.70 5.73 -46.8 2 8 1 83 461.608 9
Hi High (pH 8-9.5) 1.70 3.19 -17.48 1 8 0 82 460.6 9
Mid Mid (pH 6-8) 1.70 8.05 -111.39 3 8 2 85 462.616 9

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