UCSF

ZINC40661745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 30 Yes

Popular Name: 6-(4-benzylpiperazin-1-yl)-N4-ethyl-N4-(m-tolyl)pyrimidine-4,5-diamine 6-(4-benzylpiperazin-1-yl)-N4-et…

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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) 3.88 14.16 -88.21 4 6 2 64 404.562 6 ↓
Hi High (pH 8-9.5) 3.88 11.5 -6.9 2 6 0 62 402.546 6 ↓
Mid Mid (pH 6-8) 3.88 13.72 -42.2 3 6 1 63 403.554 6 ↓
Mid Mid (pH 6-8) 3.88 14.17 -101.68 4 6 2 64 404.562 6 ↓
Mid Mid (pH 6-8) 3.88 11.95 -28.36 3 6 1 63 403.554 6 ↓
Mid Mid (pH 6-8) 3.88 11.96 -30.54 3 6 1 63 403.554 6 ↓

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

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