UCSF

ZINC35489220

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 4.39 12.1 -9.31 0 5 0 42 449.501 5
Mid Mid (pH 6-8) 4.39 14.33 -48.37 1 5 1 43 450.509 5

Activity (Go SEA)

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