UCSF

ZINC66251124

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 34 No

Popular Name: (5aS,7R,8aS,9aR)-methoxy-8,8-tetramethyl-5a-nitro-spiro[1,2,3,5,6,8a,9,9a-octahydrocyclopenta[f]indo (5aS,7R,8aS,9aR)-methoxy-8,8-tet…

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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) 3.69 9.26 -15.13 0 8 0 96 467.566 2 ↓
Mid Mid (pH 6-8) 3.69 11.55 -54.58 1 8 1 97 468.574 2 ↓

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

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