UCSF

ZINC67911781

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 37 No

Popular Name: (1R,3aR,5aS,5bS,7aR,8S,9S,11aS,11bR,13aS,13bS)-9-hydroxy-1-isopropenyl-5b,8,11a-trimethyl-1,2,3,4,5, (1R,3aR,5aS,5bS,7aR,8S,9S,11aS,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) 4.45 11.9 -189.58 1 7 -3 141 513.651 4 ↓
Lo Low (pH 4.5-6) 4.45 9.95 -108.52 2 7 -2 138 514.659 4 ↓
Lo Low (pH 4.5-6) 4.45 10.14 -109.6 2 7 -2 138 514.659 4 ↓

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