UCSF

ZINC34676970

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

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

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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) 2.10 11.09 -53.05 1 8 1 66 429.57 3 ↓
Mid Mid (pH 6-8) 2.10 8.71 -10.43 0 8 0 65 428.562 3 ↓
Lo Low (pH 4.5-6) 2.10 11.38 -98.9 2 8 2 67 430.578 3 ↓

Activity (Go SEA)

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