UCSF

ZINC34938303

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 Yes

Popular Name: (2S)-1-(2-bromo-4-methyl-phenoxy)-3-(cyclopropylamino)propan-2-ol (2S)-1-(2-bromo-4-methyl-phenoxy…

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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) 2.69 4.68 -41.85 3 3 1 46 301.204 6 ↓
Hi High (pH 8-9.5) 2.69 3.34 -6.7 2 3 0 41 300.196 6 ↓

Activity (Go SEA)

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