UCSF

ZINC37246028

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 36 No

Popular Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bR)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10, (4aS,6aR,6aR,6bR,8aR,10S,12aR,14…

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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) 7.43 16.43 -52.59 0 4 -1 66 497.74 3 ↓
Lo Low (pH 4.5-6) 7.43 14.48 -8.97 1 4 0 64 498.748 3 ↓

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

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