UCSF

ZINC64549058

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 Yes

Popular Name: 3-hydroxy-6-(hydroxymethyl)-2-[(S)-(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyran-4-one 3-hydroxy-6-(hydroxymethyl)-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) 2.94 5.45 -13.35 3 6 0 96 391.423 5 ↓
Mid Mid (pH 6-8) 2.94 6.24 -62.17 2 6 -1 99 390.415 5 ↓

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

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