UCSF

ZINC53619602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 32 Yes

Popular Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(5R,6S)-5-methyl-7-oxo-3-phenyl-5,6-dihydrofuro[3,2-g]chromen-6-yl] N-[2-(1H-imidazol-5-yl)ethyl]-2-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.38 12.05 -49.2 3 7 1 98 430.484 6 ↓
Mid Mid (pH 6-8) 3.38 11.56 -23.65 2 7 0 97 429.476 6 ↓

Activity (Go SEA)

Rings

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

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