UCSF

ZINC16124158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 13 Yes

Other Names:

MFCD09414743

SS-6844

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) 0.10 4.09 -12.13 0 5 0 67 171.163 1
Mid Mid (pH 6-8) 0.10 4.59 -33.47 1 5 1 69 172.171 1

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

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