UCSF

ZINC54867706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 1.74 3.71 -7.61 1 3 0 32 283.169 2
Mid Mid (pH 6-8) 1.74 5.56 -41 2 3 1 34 284.177 2

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

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