UCSF

ZINC52881572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 Yes

Popular Name: (2S)-2-amino-2-phenyl-1-piperazin-1-yl-propan-1-one (2S)-2-amino-2-phenyl-1-piperazi…

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) 0.40 2.38 -48.35 4 4 1 63 234.323 2 ↓
Mid Mid (pH 6-8) 0.40 2.63 -113.57 5 4 2 65 235.331 2 ↓
Mid Mid (pH 6-8) 0.40 1.15 -8.22 3 4 0 58 233.315 2 ↓

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Rings

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

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