UCSF

ZINC65513711

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) 0.36 4.21 -37.92 1 8 1 82 331.4 4
Mid Mid (pH 6-8) 0.36 6.06 -45.45 1 8 1 82 331.4 4
Mid Mid (pH 6-8) 0.36 3.8 -10.08 0 8 0 80 330.392 4
Mid Mid (pH 6-8) 0.36 6.5 -107.49 2 8 2 83 332.408 4

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

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