UCSF

ZINC02232179

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 30 No

Popular Name: (5Z)-5-[[4-keto-9-methyl-2-(3-morpholinopropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo- (5Z)-5-[[4-keto-9-methyl-2-(3-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) 1.85 4.53 -55.86 1 8 -1 95 444.562 6 ↓
Mid Mid (pH 6-8) 1.85 7.46 -84.1 2 8 0 96 445.57 6 ↓
Lo Low (pH 4.5-6) 1.40 8.82 -51.27 3 8 1 93 446.578 6 ↓

Activity (Go SEA)

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