UCSF

ZINC35836595

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 Yes

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

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Annotations

Vendors

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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) 3.16 13.48 -43.86 1 7 1 57 427.598 3 ↓
Mid Mid (pH 6-8) 3.16 11.14 -9.97 0 7 0 56 426.59 3 ↓
Lo Low (pH 4.5-6) 3.16 13.69 -96.68 2 7 2 58 428.606 3 ↓
Lo Low (pH 4.5-6) 3.16 13.7 -98.83 2 7 2 58 428.606 3 ↓

Activity (Go SEA)

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