UCSF

ZINC38743580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 28 No

Popular Name: (2S)-2-[[(5S)-3-(2-fluorophenyl)-4-methyl-1,5-dihydro-1,2,4-triazol-5-yl]sulfanyl]-1-[(2S)-2-methyl- (2S)-2-[[(5S)-3-(2-fluorophenyl)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 9.4 -34.74 2 5 1 59 397.499 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.