UCSF

ZINC16729129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

Popular Name: (5S)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-morpholinopropyl)- (5S)-4-(3-fluoro-4-methoxy-benzo…

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) 2.01 3.98 -63.83 1 9 -1 112 499.515 9 ↓
Mid Mid (pH 6-8) 2.46 5.07 -66.82 3 9 1 110 501.531 8 ↓
Mid Mid (pH 6-8) 1.43 6.08 -68.38 2 9 1 107 501.531 9 ↓
Mid Mid (pH 6-8) 2.01 6.32 -77.4 2 9 0 113 500.523 9 ↓

Activity (Go SEA)

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