UCSF

ZINC60021808

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[[(1S)-2-[4-(4-aminophenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1S)-2-[4-(4-aminophenyl)pip…

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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) 2.26 5.38 -37.8 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 2.26 3.09 -8.94 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 2.26 5.93 -107.98 7 6 2 90 355.486 6 ↓
Lo Low (pH 4.5-6) 2.26 5.25 -89.49 7 6 2 90 355.486 6 ↓

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Rings

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

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