UCSF

ZINC34946331

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 No

Popular Name: 7-[(1R)-2-[2-[3-[(2R)-2-amino-2-phenyl-ethoxy]propylsulfanyl]ethylamino]-1-hydroxy-ethyl]-4-hydroxy- 7-[(1R)-2-[2-[3-[(2R)-2-amino-2-…

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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) 0.02 3.31 -110.61 7 7 1 130 464.633 13 ↓
Hi High (pH 8-9.5) 0.02 1.94 -72.27 6 7 0 125 463.625 13 ↓
Hi High (pH 8-9.5) 0.02 2.91 -67.76 6 7 0 128 463.625 13 ↓
Hi High (pH 8-9.5) 0.02 1.54 -41.92 5 7 -1 123 462.617 13 ↓

Activity (Go SEA)

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