UCSF

ZINC59364564

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 24 No

Popular Name: 1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,8abeta,10beta))-; 4b,5,6,7,8,8a,9,10-Octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-1,4-phenanthrenedione; 7alpha-12-Hydroxy 1,4-Phenanthrenedione, 4b,5,6,7,…

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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) 3.44 7.17 -40.2 1 4 -1 77 331.432 1 ↓
Lo Low (pH 4.5-6) 3.44 6.37 -3.47 2 4 0 75 332.44 1 ↓

Activity (Go SEA)

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