UCSF

ZINC62577243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 36 Yes

Popular Name: 5-[4-(1H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]-1-ethyl-7-isopropyl-pyrido[2,3-d]pyrimidine 5-[4-(1H-benzimidazole-5-carbony…

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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) 0.48 9.39 -25.81 2 11 0 137 489.536 4 ↓
Mid Mid (pH 6-8) 0.94 6.87 -66.65 1 11 -1 140 488.528 4 ↓
Lo Low (pH 4.5-6) 0.48 9.88 -58.79 3 11 1 138 490.544 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.