UCSF

ZINC22586710

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 17 Yes

Popular Name: N-[[(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-N,N',N'-trimethyl-ethane-1,2-diamine N-[[(1R,5S)-7,7-dimethyl-4-bicyc…

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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) 2.99 7.5 -34.68 1 2 1 8 237.411 5 ↓
Hi High (pH 8-9.5) 2.99 4.98 -1.07 0 2 0 6 236.403 5 ↓
Mid Mid (pH 6-8) 2.99 7.62 -33.56 1 2 1 8 237.411 5 ↓
Mid Mid (pH 6-8) 2.99 9.78 -108.83 2 2 2 9 238.419 5 ↓

Activity (Go SEA)

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