UCSF

ZINC19722520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 14 No

Popular Name: 4-[(4-methylpiperazin-1-yl)methyl]thiazol-2-amine 4-[(4-methylpiperazin-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) 0.41 2.23 -35.68 3 4 1 47 213.33 2 ↓
Mid Mid (pH 6-8) 0.41 2.16 -33.73 3 4 1 47 213.33 2 ↓
Mid Mid (pH 6-8) 0.41 -0.24 -6.87 2 4 0 45 212.322 2 ↓
Lo Low (pH 4.5-6) 0.41 2.61 -84.03 4 4 2 48 214.338 2 ↓

Activity (Go SEA)

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