UCSF

ZINC67983387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 20 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) 2.75 8.8 -15.98 1 4 0 47 289.766 2
Lo Low (pH 4.5-6) 2.75 9.26 -30.24 2 4 1 48 290.774 2

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

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