UCSF

ZINC36389272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 16 Yes

Popular Name: (2S)-1-butyl-2-phenyl-piperazine (2S)-1-butyl-2-phenyl-piperazine

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) 2.66 8 -118.31 3 2 2 21 220.36 4 ↓
Hi High (pH 8-9.5) 2.66 4.76 -1.81 1 2 0 15 218.344 4 ↓
Mid Mid (pH 6-8) 2.66 6.11 -39.76 2 2 1 20 219.352 4 ↓

Activity (Go SEA)

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