UCSF

ZINC26891960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 33 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) 2.14 7.49 -43 3 10 1 114 458.539 4
Hi High (pH 8-9.5) 2.14 7.1 -19.1 2 10 0 112 457.531 4

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

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