UCSF

ZINC08439528

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: 3-methyl 5-[2-(4-methyl-1-piperazinyl)ethyl] 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-methyl 5-[2-(4-methyl-1-pipera…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD04153604

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) 3.45 2.32 -125.13 2 10 2 119 460.531 9 ↓
Mid Mid (pH 6-8) 3.63 2.32 -131.17 2 10 2 119 460.531 9 ↓
Mid Mid (pH 6-8) 3.63 3.56 -128.98 2 10 2 119 460.531 9 ↓
Mid Mid (pH 6-8) 3.45 2.23 -132.62 2 10 2 119 460.531 9 ↓

Activity (Go SEA)

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