UCSF

ZINC49546277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 1.45 3.49 -11.29 1 5 0 63 270.336 2
Ref Reference (pH 7) 1.26 5.98 -12.54 1 5 0 60 270.336 2
Lo Low (pH 4.5-6) 1.45 3.98 -40.49 2 5 1 65 271.344 2
Lo Low (pH 4.5-6) 1.26 6.48 -41.48 2 5 1 61 271.344 2

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

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