UCSF

ZINC19633931

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 Yes

Popular Name: N-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]-N-ethyl-N',N'-dimethyl-ethane-1,2-diami N-[[(1S,5R)-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) 3.37 8.21 -33.24 1 2 1 8 251.438 6 ↓
Hi High (pH 8-9.5) 3.37 6.01 -0.81 0 2 0 6 250.43 6 ↓
Mid Mid (pH 6-8) 3.37 8.51 -34.68 1 2 1 8 251.438 6 ↓
Mid Mid (pH 6-8) 3.37 10.6 -107.57 2 2 2 9 252.446 6 ↓

Activity (Go SEA)

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