UCSF

ZINC37102022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: 3-(1H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline 3-(1H-tetrazol-5-yl)-N-[(1,3,5-t…

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) 1.42 4.19 -45.91 1 7 -1 83 282.331 4 ↓
Lo Low (pH 4.5-6) 1.42 4.32 -59.1 2 7 0 84 283.339 4 ↓

Activity (Go SEA)

Rings

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