UCSF

ZINC94568752

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2013 33 Yes

Popular Name: N-[(1S)-3-[3-(trans-2-Aminocyclopropyl)phenoxy]-1-(benzylcarbamoyl)propyl]benzamide hydrochloride N-[(1S)-3-[3-(trans-2-Aminocyclo…

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CAS Number: [1196052-98-8]

Other Names:

MFCD20265637

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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 -59.4 5 6 1 95 444.555 10 ↓
Hi High (pH 8-9.5) 3.04 9.6 -21.39 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.