UCSF

ZINC11570090

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 22 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) 3.42 -1.68 -54.67 3 3 1 45 292.406 2
Mid Mid (pH 6-8) 3.42 -1.49 -100.68 4 3 2 46 293.414 2

Activity (Go SEA)

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