UCSF

ZINC55104100

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 No

Popular Name: (4S)-2-amino-4-(4-butoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile (4S)-2-amino-4-(4-butoxyphenyl)-…

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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) 3.33 11.86 -11.18 3 6 0 89 359.433 5 ↓
Lo Low (pH 4.5-6) 3.33 12.33 -36.43 4 6 1 90 360.441 5 ↓

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

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