UCSF

ZINC38138777

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 29 No

Popular Name: (4S)-4-[(1R,3aS,3bS,4S,5aR,9aS,9bS,11aS)-4-ethyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11 (4S)-4-[(1R,3aS,3bS,4S,5aR,9aS,9…

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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) 5.22 11.37 -50.24 1 4 -1 69 400.583 5 ↓
Lo Low (pH 4.5-6) 5.22 9.39 -12.29 2 4 0 66 401.591 5 ↓

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

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