UCSF

ZINC16741792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5R)-5-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-furylmethyl)-3-hydroxy- (5R)-5-(4-tert-butylphenyl)-4-(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) 4.25 10.78 -61.83 0 7 -1 92 472.517 6 ↓
Mid Mid (pH 6-8) 4.69 10.16 -30.43 1 7 0 89 473.525 5 ↓
Mid Mid (pH 6-8) 3.67 11.2 -21.51 0 7 0 86 473.525 6 ↓

Activity (Go SEA)

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