UCSF

ZINC36864959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.22 6.67 -46.12 3 3 1 45 244.362 4
Hi High (pH 8-9.5) 3.22 6.45 -7.89 2 3 0 44 243.354 4
Lo Low (pH 4.5-6) 3.22 7.05 -99.54 4 3 2 47 245.37 4

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

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