UCSF

ZINC20216461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 11 Yes

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) 0.26 0.21 -12.22 2 4 0 73 151.169 2
Mid Mid (pH 6-8) 0.26 2.07 -32.43 1 4 -1 76 150.161 2

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

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