UCSF

ZINC22708952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 Yes

Popular Name: 6-[(4-benzylpiperazin-1-yl)methyl]-N'-(m-tolyl)-1,3,5-triazine-2,4-diamine 6-[(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) 3.04 12.77 -36.31 4 7 1 84 390.515 6 ↓
Mid Mid (pH 6-8) 2.50 5.9 -11.54 1 7 0 81 417.893 5 ↓
Mid Mid (pH 6-8) 3.04 12.76 -39.14 4 7 1 84 390.515 6 ↓
Mid Mid (pH 6-8) 3.04 10.51 -7.42 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.