UCSF

ZINC39265270

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 29 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) 5.20 16.03 -102.57 3 5 2 47 389.547 6
Mid Mid (pH 6-8) 5.20 15.7 -43.85 2 5 1 45 388.539 6
Mid Mid (pH 6-8) 5.20 13.13 -30.54 2 5 1 46 388.539 6
Mid Mid (pH 6-8) 5.20 13.82 -32.02 2 5 1 46 388.539 6
Mid Mid (pH 6-8) 5.20 13.47 -6.97 1 5 0 44 387.531 6
Lo Low (pH 4.5-6) 5.20 15.34 -90.38 3 5 2 47 389.547 6

Activity (Go SEA)

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