UCSF

ZINC20123123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.04 5.05 -37.24 2 3 1 33 223.34 5
Mid Mid (pH 6-8) 2.04 7.44 -112.74 3 3 2 34 224.348 5
Mid Mid (pH 6-8) 2.04 7.12 -28.06 2 3 1 30 223.34 5

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

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