UCSF

ZINC53627505

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 29 No

Popular Name: 2-[(3S,4S,8aS)-6-chloro-4-methyl-7-(2-methylallyloxy)-2-oxo-3,4,8,8a-tetrahydrochromen-3-yl]-N-[2-(1 2-[(3S,4S,8aS)-6-chloro-4-methyl…

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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) 3.47 10.88 -48.45 3 7 1 95 420.917 8 ↓
Mid Mid (pH 6-8) 3.47 10.38 -23.15 2 7 0 93 419.909 8 ↓

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

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