UCSF

ZINC34676682

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 Yes

Popular Name: [4-(4-methylpiperazin-1-yl)-2-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3- [4-(4-methylpiperazin-1-yl)-2-(4…

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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) 3.90 16.12 -59.37 1 7 1 57 503.593 4 ↓
Mid Mid (pH 6-8) 3.90 16.44 -101.69 2 7 2 58 504.601 4 ↓
Mid Mid (pH 6-8) 3.90 13.76 -12.45 0 7 0 56 502.585 4 ↓

Activity (Go SEA)

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