UCSF

ZINC39560703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 30 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) 4.92 11.68 -35.85 1 4 1 26 407.578 9
Hi High (pH 8-9.5) 4.92 9.06 -5.19 0 4 0 25 406.57 9
Mid Mid (pH 6-8) 4.92 11.65 -40.75 1 4 1 26 407.578 9

Activity (Go SEA)

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