UCSF

ZINC70200142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 No

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) 1.48 8.34 -52.3 0 5 -1 78 274.296 6
Lo Low (pH 4.5-6) 1.48 6.36 -12.29 1 5 0 75 275.304 6
Lo Low (pH 4.5-6) 1.48 6.36 -12.63 1 5 0 75 275.304 6

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

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