UCSF

ZINC39301607

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 4.54 15.64 -91.52 2 5 2 38 389.547 5
Mid Mid (pH 6-8) 4.54 15.97 -43.59 1 5 1 37 388.539 5
Mid Mid (pH 6-8) 4.54 13.76 -7.52 0 5 0 35 387.531 5
Mid Mid (pH 6-8) 4.54 13.41 -29.24 1 5 1 37 388.539 5

Activity (Go SEA)

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