UCSF

ZINC67726397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 5-(3-phenethyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepine-7-carbonyl)-1H-pyrimidin-6-on 5-(3-phenethyl-5,6,8,9-tetrahydr…

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) -0.21 8.57 -24.63 1 8 0 97 364.409 4 ↓
Mid Mid (pH 6-8) 0.24 7.21 -52.42 0 8 -1 100 363.401 4 ↓

Activity (Go SEA)

Rings

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

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