UCSF

ZINC66123264

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (6aS,10S,10aS,11aR)-1-chloro-10-(dimethylamino)-3-(2-dimethylaminoethylamino)-4,6,6a,9-tetrahydroxy- (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) -0.58 0.9 -80.18 7 12 0 194 535.985 6 ↓
Hi High (pH 8-9.5) -0.58 1.86 -104.21 6 12 -1 196 534.977 6 ↓
Hi High (pH 8-9.5) -0.58 -0.61 -100.88 5 12 -2 195 533.969 6 ↓
Mid Mid (pH 6-8) -0.58 2.93 -86.98 8 12 1 195 536.993 6 ↓

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Rings

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

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