UCSF

ZINC21986717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Popular Name: (2R,5R)-1-benzyl-2-isopropyl-5-methyl-piperazine (2R,5R)-1-benzyl-2-isopropyl-5-m…

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) 2.83 6.7 -39.85 2 2 1 20 233.379 3 ↓
Hi High (pH 8-9.5) 2.83 5.41 -1.35 1 2 0 15 232.371 3 ↓
Mid Mid (pH 6-8) 2.83 6.85 -30.86 2 2 1 16 233.379 3 ↓
Mid Mid (pH 6-8) 2.83 8.19 -112.81 3 2 2 21 234.387 3 ↓

Activity (Go SEA)

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