UCSF

ZINC44876138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 37 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) 5.45 12.63 -55.99 3 6 1 80 520.719 8
Mid Mid (pH 6-8) 5.45 13.06 -88.25 2 6 0 82 519.711 8

Activity (Go SEA)

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