UCSF

ZINC62979042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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) 1.91 6.42 -92.03 3 3 2 24 241.423 5
Hi High (pH 8-9.5) 1.91 4.31 -31.64 2 3 1 23 240.415 5
Hi High (pH 8-9.5) 1.91 5.69 -29.7 2 3 1 20 240.415 5

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

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