UCSF

ZINC71550437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 2.82 5.32 -52.48 4 3 1 56 242.277 2
Hi High (pH 8-9.5) 2.82 4.92 -12.12 3 3 0 55 241.269 2
Lo Low (pH 4.5-6) 2.82 5.48 -92.38 5 3 2 58 243.285 2

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

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