UCSF

ZINC09244708

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 15 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) 1.50 1.79 -9.53 3 5 0 77 200.201 0
Mid Mid (pH 6-8) 1.96 0.07 -49.16 2 5 -1 80 199.193 0

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

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