UCSF

ZINC17118004

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 17 No

Other Names:

MFCD08728214

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) 1.66 4.47 -48.04 1 6 -1 86 249.275 4
Mid Mid (pH 6-8) 1.71 6.24 -11.29 2 6 0 80 250.283 4

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

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