UCSF

ZINC43511486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 37 No

Popular Name: (1S,4S,5R,7R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methyltetrazol-5-yl)-5-phenyl-8 (1S,4S,5R,7R)-4-[(1S)-1-[3,5-bis…

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) 5.00 10.76 -11.01 1 6 0 65 525.497 7 ↓
Lo Low (pH 4.5-6) 5.00 11.92 -44.33 2 6 1 69 526.505 7 ↓

Activity (Go SEA)

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