UCSF

ZINC06445314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 29 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) 3.41 7.98 -12.88 1 6 0 81 422.432 9
Lo Low (pH 4.5-6) 3.41 8.26 -44.75 2 6 1 82 423.44 9

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

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