UCSF

ZINC60021684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: 2-[[(2S)-2-[4-(4-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(4-aminophenyl)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) 1.59 4.89 -34.43 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.59 2.84 -9.01 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 1.59 4.75 -85.77 7 6 2 90 355.486 6 ↓
Lo Low (pH 4.5-6) 1.59 5.55 -103.95 7 6 2 90 355.486 6 ↓

Activity (Go SEA)

Rings

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

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