UCSF

ZINC69742909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) 1.57 1.1 -44.43 1 8 -1 114 345.36 4
Mid Mid (pH 6-8) 1.57 1.47 -24.46 2 8 0 116 346.368 4
Lo Low (pH 4.5-6) 1.57 1.07 -15.68 2 8 0 112 346.368 4

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

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