UCSF

ZINC59513002

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 20 Yes

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) 2.07 5.45 -110.75 1 7 -2 114 286.272 3
Mid Mid (pH 6-8) 1.61 6.72 -43.39 2 7 -1 111 287.28 3
Mid Mid (pH 6-8) 1.45 6.51 -109.78 1 7 -2 114 286.272 3

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

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