UCSF

ZINC40404935

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 32 No

Popular Name: (1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9, (1R,3aS,5aR,5bR,7aS,11aS,11bR,13…

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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) 8.18 15.3 -46.86 0 2 -1 40 439.704 2 ↓
Lo Low (pH 4.5-6) 8.18 13.59 -3.56 1 2 0 37 440.712 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5468888 IBM Patent Data

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