UCSF

ZINC35017519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 Yes

Popular Name: 2-[[5-[(2-hydroxyphenyl)methylamino]pentylamino]methyl]phenol 2-[[5-[(2-hydroxyphenyl)methylam…

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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) 3.61 5.17 -98.03 6 4 2 74 316.445 10 ↓
Hi High (pH 8-9.5) 3.61 5.92 -80.01 5 4 1 76 315.437 10 ↓

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

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