UCSF

ZINC43424009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.05 3.87 -3.67 2 3 0 38 246.354 2
Mid Mid (pH 6-8) 2.05 6.08 -32.38 3 3 1 40 247.362 2

Activity (Go SEA)

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