UCSF

ZINC70009580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 24 Yes

Popular Name: 4-[[2-hydroxyethyl(3-thienylmethyl)amino]methyl]-7-methoxy-chromen-2-one 4-[[2-hydroxyethyl(3-thienylmeth…

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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) 2.13 5.19 -10.43 1 5 0 63 345.42 7 ↓
Mid Mid (pH 6-8) 2.13 6.73 -57.59 2 5 1 64 346.428 7 ↓

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

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