UCSF

ZINC13281421

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 29 No

Popular Name: (4S)-6-amino-3-methyl-1-(2-naphthyl)-4-(3-pyridyl)-4H-pyrano[5,6-d]pyrazole-5-carbonitrile (4S)-6-amino-3-methyl-1-(2-napht…

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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) 2.94 8.02 -12.21 2 6 0 90 379.423 2 ↓
Lo Low (pH 4.5-6) 2.94 8.3 -39.04 3 6 1 91 380.431 2 ↓

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

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