UCSF

ZINC48783013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 25 Yes

Popular Name: 4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]methyl]benzonitrile 4-[[[4-[(4-methylpiperazin-1-yl)…

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) 2.35 9.98 -99.11 3 4 2 48 336.483 6 ↓
Hi High (pH 8-9.5) 2.35 6.25 -6.55 1 4 0 42 334.467 6 ↓
Mid Mid (pH 6-8) 2.35 9.85 -105.18 3 4 2 48 336.483 6 ↓
Mid Mid (pH 6-8) 2.35 7.61 -56.17 2 4 1 47 335.475 6 ↓

Activity (Go SEA)

Rings

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

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