UCSF

ZINC36217798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Popular Name: [(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-[5-(3,4-dimethylphenyl)-1-methyl-pyra [(3R,5R)-4-(2-dimethylaminoethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.14 10.06 -45.01 1 6 1 46 398.575 5 ↓
Hi High (pH 8-9.5) 3.14 7.58 -9.74 0 6 0 45 397.567 5 ↓
Lo Low (pH 4.5-6) 3.14 12.09 -116.17 2 6 2 47 399.583 5 ↓

Activity (Go SEA)

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