UCSF

ZINC69702082

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: (1S,2S)-N-[3-[(2R)-4-benzyl-2-methyl-piperazin-1-yl]-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[3-[(2R)-4-benzyl-2-me…

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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) 2.14 6.79 -15.4 1 5 0 53 343.471 6 ↓
Mid Mid (pH 6-8) 2.14 8.99 -55.6 2 5 1 54 344.479 6 ↓

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Rings

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

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