UCSF

ZINC64548718

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 34 Yes

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

Find On: PubMed — Wikipedia — Google

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) 4.61 9.03 -14.7 3 6 0 96 453.494 6 ↓
Mid Mid (pH 6-8) 4.61 9.83 -66.8 2 6 -1 99 452.486 6 ↓

Activity (Go SEA)

Rings

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

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