UCSF

ZINC85537078

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 59 No

CAS Numbers: 1201898-17-0 , 162652-95-1

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) 6.24 13.24 -13.25 2 12 0 134 816.943 10
Mid Mid (pH 6-8) 6.24 15.79 -51.47 3 12 1 135 817.951 10

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

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