UCSF

ZINC43981688

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 32 Yes

Popular Name: (3R,3aS,5aR,6S,7R,9aS,9bS)-6-(2-carboxyethyl)-3-[(1R)-4-hydroxy-1-methyl-4-oxo-butyl]-3a,6-dimethyl- (3R,3aS,5aR,6S,7R,9aS,9bS)-6-(2-…

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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) 1.97 12 -196.77 0 8 -3 155 447.504 8 ↓
Mid Mid (pH 6-8) 1.97 10.19 -113.11 1 8 -2 152 448.512 8 ↓

Activity (Go SEA)

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