UCSF

ZINC13127444

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 Yes

Popular Name: (5S,7R)-5,7-bis(4-fluorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (5S,7R)-5,7-bis(4-fluorophenyl)-…

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) 3.26 11.89 -10.06 1 4 0 43 312.323 2 ↓
Mid Mid (pH 6-8) 3.44 12.88 -126.35 3 4 2 49 314.339 2 ↓
Lo Low (pH 4.5-6) 3.44 11.96 -47.89 2 4 1 47 313.331 2 ↓

Activity (Go SEA)

Rings

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