UCSF

ZINC48782942

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 27 Yes

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 2.41 8.85 -85.31 3 5 2 43 371.525 8 ↓
Hi High (pH 8-9.5) 2.41 5.09 -7.74 1 5 0 37 369.509 8 ↓
Mid Mid (pH 6-8) 2.41 8.72 -90.34 3 5 2 43 371.525 8 ↓
Mid Mid (pH 6-8) 2.41 6.47 -43.05 2 5 1 42 370.517 8 ↓

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Rings

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

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