UCSF

ZINC33580965

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 Yes

Popular Name: 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]thiazol-2-yl]amino]ethyl]-N-propyl-b 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2…

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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) 2.84 9.12 -27.38 2 8 0 104 500.024 11 ↓
Hi High (pH 8-9.5) 2.66 8.05 -56.19 1 8 -1 111 499.016 11 ↓
Lo Low (pH 4.5-6) 2.84 9.5 -54.6 3 8 1 106 501.032 11 ↓

Activity (Go SEA)

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