UCSF

ZINC22779136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 Yes

Popular Name: 4-[(4-benzylpiperazin-1-yl)methyl]-6-imino-N-(p-tolyl)-1H-1,3,5-triazin-2-amine 4-[(4-benzylpiperazin-1-yl)methy…

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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) 3.07 12.77 -36.32 4 7 1 84 390.515 6 ↓
Mid Mid (pH 6-8) 2.09 7.9 -74.21 2 6 0 74 382.489 6 ↓
Mid Mid (pH 6-8) 3.07 12.77 -38.74 4 7 1 84 390.515 6 ↓
Mid Mid (pH 6-8) 3.07 10.51 -7.33 3 7 0 83 389.507 6 ↓

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Rings

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

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