UCSF

ZINC86861052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 13 No

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) -2.26 -3.01 -47.55 4 6 0 106 206.223 3
Mid Mid (pH 6-8) -2.26 -3.27 -43.11 3 6 -1 104 205.215 3

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

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