UCSF

ZINC16741272

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5S)-5-(4-butoxy-3-methoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2- (5S)-5-(4-butoxy-3-methoxy-pheny…

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) 2.60 7.41 -63.87 0 9 -1 105 483.541 11 ↓
Mid Mid (pH 6-8) 3.04 9.54 -71.36 2 9 1 103 485.557 10 ↓
Mid Mid (pH 6-8) 2.01 9.58 -71.63 1 9 1 100 485.557 11 ↓
Mid Mid (pH 6-8) 2.60 9.74 -83.18 1 9 0 106 484.549 11 ↓

Activity (Go SEA)

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