UCSF

ZINC38574368

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R,7aS)-6-amino-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-propyl-4,7a-dihydropyrano[2,3-c]pyrazole-5 (4R,7aS)-6-amino-4-(4-hydroxy-3-…

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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) 2.76 0.01 -13.91 3 10 0 159 371.353 5 ↓
Mid Mid (pH 6-8) 2.76 1.07 -50.2 2 10 -1 162 370.345 5 ↓
Lo Low (pH 4.5-6) 2.76 0.39 -57.77 4 10 1 161 372.361 5 ↓

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

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