UCSF

ZINC16952784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 20 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) 4.06 8.08 -8.51 0 4 0 43 264.332 2
Mid Mid (pH 6-8) 4.06 8.43 -25.43 1 4 1 45 265.34 2

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

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