UCSF

ZINC59598257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 41 No

Popular Name: (2S,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-(4-hydroxy-4-oxo-butanoyl)oxy-2,4a,6a,6b,9,9,12a-heptameth (2S,4aS,6aR,6aR,6bR,8aR,10S,12aR…

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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) 5.60 17.18 -106.26 0 7 -2 124 568.751 6 ↓
Lo Low (pH 4.5-6) 5.60 15.23 -55.52 1 7 -1 121 569.759 6 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.