UCSF

ZINC98091484

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 33 Yes

Popular Name: N-[(1S)-3-[3-(trans-2-AMinocyclopropyl)phenoxy]-1-(benzylcarbaMoyl)propyl]benzaMideHydrochloride N-[(1S)-3-[3-(trans-2-AMinocyclo…

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CAS Number: 1196052-98-8

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 3.04 9.92 -60.56 5 6 1 95 444.555 10 ↓
Hi High (pH 8-9.5) 3.04 9.59 -20.63 4 6 0 93 443.547 10 ↓

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

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