UCSF

ZINC15825186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 31 Yes

Popular Name: N-(3-methoxyphenyl)-4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carboxamide N-(3-methoxyphenyl)-4-[4-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) 2.80 12.07 -47.44 2 9 1 78 426.545 4 ↓
Hi High (pH 8-9.5) 2.80 6.9 -39.74 2 9 1 78 426.545 4 ↓
Hi High (pH 8-9.5) 2.80 6.63 -13.81 1 9 0 77 425.537 4 ↓
Mid Mid (pH 6-8) 2.80 9.38 -95.18 3 9 2 80 427.553 4 ↓
Mid Mid (pH 6-8) 2.80 9.36 -109.75 3 9 2 80 427.553 4 ↓

Activity (Go SEA)

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