UCSF

ZINC16392025

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 27 No

Popular Name: LS-69589 LS-69589

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.55 11.62 -41.68 1 9 1 82 376.485 6 ↓
Mid Mid (pH 6-8) 1.55 10.87 -82.68 2 9 2 84 377.493 6 ↓
Lo Low (pH 4.5-6) 1.55 11.52 -100.5 2 9 2 83 377.493 6 ↓
Lo Low (pH 4.5-6) 1.55 11.92 -97.66 2 9 2 83 377.493 6 ↓

Activity (Go SEA)

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