UCSF

ZINC34676709

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 Yes

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

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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) 2.79 14.5 -43.83 1 7 1 57 421.569 3 ↓
Mid Mid (pH 6-8) 2.79 12.15 -11.47 0 7 0 56 420.561 3 ↓
Lo Low (pH 4.5-6) 2.79 14.89 -93.85 2 7 2 58 422.577 3 ↓
Lo Low (pH 4.5-6) 2.79 14.86 -96.09 2 7 2 58 422.577 3 ↓

Activity (Go SEA)

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