UCSF

ZINC31371597

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 17 No

Popular Name: 1-(beta-Naphthyl)-2-(2-aminoethyl)isothiouronium sulfate; LS-125989; Pseudourea, 2-(2-aminoethyl)-1-(beta-naphthyl)-2-thio-, hydrogen sulfate; Pseudourea, 2-thio-1-(beta-naphthyl)-2-(2-aminoethyl)-, sulfate; USAF B-77 1-(beta-Naphthyl)-2-(2-aminoethy…

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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) 1.84 4.63 -47.53 5 3 1 66 246.359 4 ↓
Hi High (pH 8-9.5) 1.84 4.23 -6.31 4 3 0 64 245.351 4 ↓
Mid Mid (pH 6-8) 1.97 4.62 -46.12 5 3 1 64 246.359 5 ↓
Mid Mid (pH 6-8) 1.97 5.18 -50.27 5 3 1 64 246.359 5 ↓
Mid Mid (pH 6-8) 1.97 4.6 -105.84 6 3 2 65 247.367 5 ↓

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

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