UCSF

ZINC67515026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: N-(2-hydroxyethyl)-1-[(3S)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-piperidyl]triazole-4-carboxamid N-(2-hydroxyethyl)-1-[(3S)-1-(7-…

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) 0.63 2.76 -16.78 2 9 0 109 387.469 5 ↓
Lo Low (pH 4.5-6) 0.63 3.21 -37.26 3 9 1 110 388.477 5 ↓

Activity (Go SEA)

Rings

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

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