UCSF

ZINC62569177

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 2.44 4.5 -37.38 3 2 1 29 205.325 2 ↓
Hi High (pH 8-9.5) 2.44 3.53 -1.78 2 2 0 24 204.317 2 ↓
Lo Low (pH 4.5-6) 2.44 5.81 -121.98 4 2 2 33 206.333 2 ↓

Activity (Go SEA)

Rings

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

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