UCSF

ZINC11914098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 27 Yes

Popular Name: (4R)-4-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrrolo[4,3-d]py (4R)-4-(4-fluorophenyl)-5-(2-hyd…

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) 2.70 4.21 -11.94 3 6 0 89 367.38 4 ↓
Hi High (pH 8-9.5) 2.70 5.03 -44.89 2 6 -1 92 366.372 4 ↓

Activity (Go SEA)

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