UCSF

ZINC25461898

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 Yes

Popular Name: (2S)-N-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]propanamide (2S)-N-phenyl-2-[4-(2-pyridyl)pi…

Find On: PubMed — Wikipedia — Google

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) 2.17 8.73 -42.18 2 5 1 50 311.409 4 ↓
Hi High (pH 8-9.5) 2.17 6.53 -10.44 1 5 0 48 310.401 4 ↓
Mid Mid (pH 6-8) 2.17 6.86 -32.64 2 5 1 50 311.409 4 ↓
Lo Low (pH 4.5-6) 2.17 9.07 -94.22 3 5 2 51 312.417 4 ↓

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