UCSF

ZINC09317481

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 33 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) 2.26 8.06 -49.02 5 7 1 106 451.591 8
Mid Mid (pH 6-8) 2.26 7.73 -16.23 4 7 0 105 450.583 8

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

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