UCSF

ZINC34676934

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Substance Information

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

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

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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) 2.75 13.82 -43.61 1 7 1 57 427.598 4 ↓
Mid Mid (pH 6-8) 2.75 14.19 -86.63 2 7 2 58 428.606 4 ↓
Mid Mid (pH 6-8) 2.75 11.46 -15.03 0 7 0 56 426.59 4 ↓

Activity (Go SEA)

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