UCSF

ZINC00395295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: N-(4-chlorophenyl)-N'-(3-pyridinylmethyl)urea N-(4-chlorophenyl)-N'-(3-pyridin…

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CAS Number: 53101-97-6

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) 2.29 4.61 -9.48 2 4 0 54 261.712 3 ↓
Lo Low (pH 4.5-6) 2.29 5.08 -42.48 3 4 1 55 262.72 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.