UCSF

ZINC53343637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 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) 0.84 2.64 -45.08 2 4 1 38 243.371 5
Hi High (pH 8-9.5) 0.84 1.31 -3.72 1 4 0 34 242.363 5
Lo Low (pH 4.5-6) 0.84 4.55 -123.37 3 4 2 40 244.379 5

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

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