UCSF

ZINC67434568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 Yes

Popular Name: (2R)-2-(3-phenethyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepin-7-yl)propanamide (2R)-2-(3-phenethyl-5,6,8,9-tetr…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.35 7.38 -52.1 3 6 1 78 314.413 5 ↓
Mid Mid (pH 6-8) 1.35 5.86 -14.49 2 6 0 77 313.405 5 ↓

Activity (Go SEA)

Rings

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

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