UCSF

ZINC40345774

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 39 Yes

Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-5-(2-morpholinoethyl)-1,4-dihydropyrrolo[3,4-c]pyrazo (4S)-4-(4-benzyloxyphenyl)-3-(4-…

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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) 4.59 10.24 -14.33 1 8 0 80 524.621 9 ↓
Lo Low (pH 4.5-6) 4.59 12.5 -47.46 2 8 1 81 525.629 9 ↓

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

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