UCSF

ZINC62569179

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 15 Yes

Popular Name: (2R,5S)-2-isopropyl-5-phenyl-piperazine (2R,5S)-2-isopropyl-5-phenyl-pip…

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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) 2.44 4.56 -35.99 3 2 1 29 205.325 2 ↓
Hi High (pH 8-9.5) 2.44 3.4 -1.72 2 2 0 24 204.317 2 ↓
Lo Low (pH 4.5-6) 2.44 5.69 -121.23 4 2 2 33 206.333 2 ↓

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Rings

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

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