UCSF

ZINC71624281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 16 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) 1.12 4.84 -47.05 4 4 1 66 223.296 7
Mid Mid (pH 6-8) 1.12 5.55 -42.21 4 4 1 69 223.296 7
Mid Mid (pH 6-8) 1.12 5.04 -5.74 3 4 0 64 222.288 7

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

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