UCSF

ZINC40609666

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 31 No

Popular Name: (4S,4aS,5aR,6S,11aR,12S,12aS)-4-(dimethylamino)-1,6,10,12-tetrahydroxy-6-methyl-3,11-dioxo-4a,5,5a,1 (4S,4aS,5aR,6S,11aR,12S,12aS)-4-…

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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) -0.14 1.31 -79.92 6 9 0 165 430.457 2 ↓
Hi High (pH 8-9.5) -0.14 2.31 -158.72 5 9 -1 168 429.449 2 ↓
Hi High (pH 8-9.5) -0.14 -0.85 -62.66 5 9 -1 164 429.449 2 ↓
Lo Low (pH 4.5-6) -0.14 -0.4 -65.26 7 9 1 163 431.465 2 ↓

Activity (Go SEA)

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