UCSF

ZINC66123444

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 37 No

Popular Name: (6aS,10S,10aS,11aR)-1-chloro-10-(dimethylamino)-4,6,6a,9-tetrahydroxy-3-(isopentylamino)-5,7-dioxo-1 (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) 1.04 1.66 -51.91 6 11 -1 189 533.989 6 ↓
Hi High (pH 8-9.5) 1.04 2.62 -101.11 5 11 -2 192 532.981 6 ↓
Mid Mid (pH 6-8) 1.04 3.69 -52.2 7 11 0 190 534.997 6 ↓

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

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