UCSF

ZINC66123470

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (6aS,10S,10aS,11aR)-1,10-bis(dimethylamino)-4,6,6a,9-tetrahydroxy-5,7-dioxo-3-propyl-10a,11,11a,12-t (6aS,10S,10aS,11aR)-1,10-bis(dim…

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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) 0.13 2.47 -52.72 5 11 -1 180 499.544 5 ↓
Hi High (pH 8-9.5) 0.13 3.43 -106.88 4 11 -2 183 498.536 5 ↓
Hi High (pH 8-9.5) 0.13 3.82 -71.2 5 11 -1 184 499.544 5 ↓
Mid Mid (pH 6-8) 0.13 4.34 -53.34 6 11 0 182 500.552 5 ↓

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Rings

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

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