UCSF

ZINC04500430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 26 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) 4.04 13.21 -39.97 1 4 1 35 375.468 6
Mid Mid (pH 6-8) 4.04 11.22 -8.15 0 4 0 34 374.46 6

Activity (Go SEA)

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