UCSF

ZINC13952161

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 7 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) 0.70 2.54 -6.88 1 2 0 29 94.117 1
Mid Mid (pH 6-8) 0.70 3 -27.57 2 2 1 30 95.125 1

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

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