UCSF

ZINC64549825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 Yes

Popular Name: 2-[(S)-(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one 2-[(S)-(4-chlorophenyl)-(2-methy…

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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) 3.56 6.67 -12.03 3 5 0 86 395.842 4 ↓
Mid Mid (pH 6-8) 3.56 7.46 -59.2 2 5 -1 89 394.834 4 ↓

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

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