UCSF

ZINC35456370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 No

Popular Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR…

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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) 5.40 10.91 -50.11 1 4 -1 77 457.675 2 ↓
Lo Low (pH 4.5-6) 5.40 9.05 -6.76 2 4 0 75 458.683 2 ↓

Activity (Go SEA)

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