UCSF

ZINC48279967

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 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) 0.78 3.43 -57.77 0 7 -1 100 292.278 3
Mid Mid (pH 6-8) 0.32 6.15 -23.86 1 7 0 96 293.286 3

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

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