UCSF

ZINC05648311

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 14 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) 1.04 5.53 -55.34 2 3 1 64 182.206 0
Hi High (pH 8-9.5) 1.04 4.88 -12.28 1 3 0 60 181.198 0

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

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