UCSF

ZINC58539889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 24 No

Popular Name: 1-allyl-4-[[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]tetrazole-5-thione 1-allyl-4-[[(2S)-2-[(2-methoxyph…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.24 10.1 -36.27 1 6 1 49 346.48 7 ↓
Hi High (pH 8-9.5) 2.24 7.83 -7.45 0 6 0 48 345.472 7 ↓

Activity (Go SEA)

Rings

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

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