UCSF

ZINC53193262

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 15 No

Popular Name: 1-(3,4-Dihydroxy-phenyl)-2-isopropylamino-ethanone 1-(3,4-Dihydroxy-phenyl)-2-isopr…

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CAS Number: 121-28-8

Download: MOL2 SDF SMILES Flexibase

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) 0.95 -0.36 -10.68 3 4 0 70 209.245 4 ↓
Hi High (pH 8-9.5) 0.95 0.57 -43.54 2 4 -1 72 208.237 4 ↓

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