UCSF

ZINC45285656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 21 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) 4.02 3.15 -10.25 2 4 0 65 281.359 1
Mid Mid (pH 6-8) 4.02 4.14 -24.84 3 4 1 66 282.367 1

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

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