UCSF

ZINC67935045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 No

Popular Name: (3aS,6aR)-5-(1-phenyltetrazol-5-yl)-3-(2-pyridylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-2-o (3aS,6aR)-5-(1-phenyltetrazol-5-…

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) 0.82 9.59 -17.44 0 9 0 89 363.381 4 ↓
Lo Low (pH 4.5-6) 0.82 9.99 -55.28 1 9 1 91 364.389 4 ↓

Activity (Go SEA)

Rings

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

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