UCSF

ZINC52441173

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 26 Yes

Popular Name: (2S)-2-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (2S)-2-[4-[2-(dimethylamino)acet…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.14 6.34 -46.14 2 6 1 57 365.473 6 ↓
Hi High (pH 8-9.5) 1.14 3.96 -15.23 1 6 0 56 364.465 6 ↓
Mid Mid (pH 6-8) 1.14 8.48 -100.54 3 6 2 58 366.481 6 ↓

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

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