UCSF

ZINC65502250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.14 5.56 -29.2 3 4 1 45 281.383 3
Hi High (pH 8-9.5) 2.14 5 -7.11 2 4 0 44 280.375 3
Mid Mid (pH 6-8) 2.14 7.65 -103.09 4 4 2 46 282.391 3

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

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