UCSF

ZINC49067451

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 34 No

Popular Name: (6bS)-8-acetyl-2-benzyl-6,9-dihydroxy-3,3,6b-trimethyl-benzofuro[2,3-f][1,3]benzoxazine-1,7-dione (6bS)-8-acetyl-2-benzyl-6,9-dihy…

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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) 2.82 9.47 -53.15 1 8 -1 116 460.462 3 ↓
Hi High (pH 8-9.5) 2.82 10.36 -112.55 0 8 -2 119 459.454 3 ↓
Lo Low (pH 4.5-6) 2.24 8.46 -18.11 1 8 0 110 461.47 3 ↓
Lo Low (pH 4.5-6) 2.82 9.19 -54.24 1 8 -1 116 460.462 2 ↓

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

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