UCSF

ZINC22751690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 37 No

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

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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) 5.08 10.47 -16.72 3 10 0 160 493.479 6 ↓
Lo Low (pH 4.5-6) 5.08 10.8 -61.69 4 10 1 161 494.487 6 ↓

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

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