UCSF

ZINC19255420

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 Yes

Popular Name: 1-Naphthaleneethylamine, beta-dimethylamino-, dihydrobromide; LS-94692; N,N-Dimethyl-1-(1-naphthyl)ethylenediamine dihydrobromide; beta-Dimethylamino-1-naphthaleneethylamine dihydrobromide 1-Naphthaleneethylamine, beta-di…

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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) 1.89 6.51 -129.93 4 2 2 32 216.328 3 ↓
Mid Mid (pH 6-8) 1.89 4.46 -48.24 3 2 1 31 215.32 3 ↓
Mid Mid (pH 6-8) 1.89 6.34 -32.68 3 2 1 30 215.32 3 ↓

Activity (Go SEA)

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