UCSF

ZINC28638108

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 32 No

Popular Name: 3-[(1S,2S,4aR,4bR,6aR,10R,10aS,10bR,12aR)-2-isopropenyl-1,4a,4b,6a,10-pentamethyl-9-methylene-3,4,5, 3-[(1S,2S,4aR,4bR,6aR,10R,10aS,1…

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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) 8.16 14.39 -51.9 0 2 -1 40 439.704 4 ↓
Lo Low (pH 4.5-6) 8.16 13.27 -6.12 1 2 0 37 440.712 4 ↓

Activity (Go SEA)

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