UCSF

ZINC69482286

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 27 Yes

Popular Name: 5,7-dihydroxy-2-[(4R)-4-hydroxycyclohexa-1,5-dien-1-yl]-6-[(2S)-1-methyl-2-piperidyl]chromen-4-one 5,7-dihydroxy-2-[(4R)-4-hydroxyc…

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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) 2.79 5.16 -42.31 4 6 1 95 370.425 2 ↓
Hi High (pH 8-9.5) 2.79 5.79 -27.25 3 6 0 98 369.417 2 ↓
Hi High (pH 8-9.5) 2.79 6.15 -53.67 3 6 0 98 369.417 2 ↓

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

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