UCSF

ZINC38577497

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 No

Popular Name: (4R,7aR)-6-amino-4-(4-benzyloxy-3-methoxy-phenyl)-3-methyl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbo (4R,7aR)-6-amino-4-(4-benzyloxy-…

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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) 3.48 2.94 -11.41 2 7 0 102 388.427 5 ↓
Lo Low (pH 4.5-6) 3.48 3.3 -54.09 3 7 1 104 389.435 5 ↓

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

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