UCSF

ZINC42748259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.15 4.44 -41 3 3 1 40 237.367 7
Hi High (pH 8-9.5) 0.15 3.43 -2.91 2 3 0 38 236.359 7
Mid Mid (pH 6-8) 0.15 5.71 -116.65 4 3 2 41 238.375 7

Activity (Go SEA)

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