UCSF

ZINC13403919

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 36 No

Popular Name: [3-[(4R)-6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]phenyl] [3-[(4R)-6-amino-5-cyano-3-(3-ni…

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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) 2.28 5.95 -19.62 3 12 0 172 488.46 5 ↓
Lo Low (pH 4.5-6) 2.28 6.17 -72.29 4 12 1 174 489.468 5 ↓

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

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