UCSF

ZINC53312418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 31 Yes

Popular Name: 3-[[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one 3-[[[(1R)-1-benzyl-2-hydroxy-eth…

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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) 4.76 11.33 -42.02 3 5 1 76 422.545 9 ↓
Mid Mid (pH 6-8) 4.76 10.05 -15.27 2 5 0 72 421.537 9 ↓

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

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