UCSF

ZINC49544175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

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) 0.48 5.78 -53.15 2 5 0 54 304.414 4
Mid Mid (pH 6-8) 0.48 3.69 -7.56 1 5 0 53 303.406 4
Mid Mid (pH 6-8) 0.48 6.08 -54.34 2 5 0 54 304.414 4
Mid Mid (pH 6-8) 0.48 3.39 -8.18 1 5 0 53 303.406 4

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

No pre-computed analogs available. Try a structural similarity search.