UCSF

ZINC34676721

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Substance Information

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

Popular Name: [2-(4-methylpiperazin-1-yl)-4-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3- [2-(4-methylpiperazin-1-yl)-4-(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 16.1 -46.07 1 7 1 57 503.593 4 ↓
Mid Mid (pH 6-8) 3.90 13.75 -13.75 0 7 0 56 502.585 4 ↓
Lo Low (pH 4.5-6) 3.90 16.57 -99.7 2 7 2 58 504.601 4 ↓
Lo Low (pH 4.5-6) 3.90 16.53 -100.33 2 7 2 58 504.601 4 ↓

Activity (Go SEA)

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