UCSF

ZINC66123262

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 36 No

Popular Name: (6aS,10S,10aS,11aR)-1-chloro-10-(dimethylamino)-4,6,6a,9-tetrahydroxy-3-(2-methoxyethylamino)-5,7-di (6aS,10S,10aS,11aR)-1-chloro-10-…

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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) -0.62 -1.45 -51.33 6 12 -1 198 521.934 6 ↓
Hi High (pH 8-9.5) -0.62 -0.48 -103.49 5 12 -2 201 520.926 6 ↓
Mid Mid (pH 6-8) -0.62 0.61 -50.76 7 12 0 200 522.942 6 ↓

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Rings

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

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