UCSF

ZINC20177879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 2.04 0.42 -7.5 2 3 0 56 196.294 3
Mid Mid (pH 6-8) 2.04 1.53 -48.07 3 3 1 61 197.302 3

Activity (Go SEA)

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