UCSF

ZINC31318214

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 13 No

Popular Name: 1-Phenyl-2-(2-aminoethyl)isothiouronium sulfate; LS-125993; Pseudourea, 2-(2-aminoethyl)-1-phenyl-2-thio-, hydrogen sulfate; Pseudourea, 2-thio-, 1-phenyl-2-(2-aminoethyl)-, sulfate; USAF B-65 1-Phenyl-2-(2-aminoethyl)isothio…

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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) 0.66 2.37 -46.06 5 3 1 66 196.299 4 ↓
Hi High (pH 8-9.5) 0.66 1.98 -5.03 4 3 0 64 195.291 4 ↓
Mid Mid (pH 6-8) 0.79 2.36 -44.44 5 3 1 64 196.299 5 ↓
Mid Mid (pH 6-8) 0.79 2.95 -48.85 5 3 1 64 196.299 5 ↓
Mid Mid (pH 6-8) 0.79 2.31 -101.57 6 3 2 65 197.307 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.