UCSF

ZINC28766418

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 31 No

Popular Name: (4S,4aR,5aS,6S,11aS,12S,12aR)-4-(dimethylamino)-1,6,10,12-tetrahydroxy-6-methyl-3,11-dioxo-4a,5,5a,1 (4S,4aR,5aS,6S,11aS,12S,12aR)-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 0.38 -68.21 6 9 0 165 430.457 2 ↓
Hi High (pH 8-9.5) -0.14 1.4 -142.01 5 9 -1 168 429.449 2 ↓
Hi High (pH 8-9.5) -0.14 -1.73 -62.92 5 9 -1 164 429.449 2 ↓
Lo Low (pH 4.5-6) -0.14 -1.92 -58.91 7 9 1 163 431.465 2 ↓

Activity (Go SEA)

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