UCSF

ZINC53532363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 14 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 1.91 -43.72 2 4 1 54 221.346 5
Hi High (pH 8-9.5) 0.84 0.87 -11.59 1 4 0 49 220.338 5

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

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