UCSF

ZINC71589546

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 25 Yes

Popular Name: [(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(7-chloro-4-hydroxy-3-quino [(3aR,5S,6S,7aS)-5,6-dihydroxy-1…

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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) -0.03 2.58 -25.64 3 6 0 94 362.813 1 ↓
Hi High (pH 8-9.5) 1.27 2.02 -50.1 2 6 -1 97 361.805 1 ↓

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Rings

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

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