UCSF

ZINC19291793

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 22 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) 1.38 4.85 -15.18 2 7 0 89 299.334 6
Mid Mid (pH 6-8) 1.38 5.28 -33.73 3 7 1 90 300.342 6

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

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