UCSF

ZINC65505142

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: 1-[2-methyl-4-[[(1S)-1-methyl-3-pyrazol-1-yl-propyl]amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7 1-[2-methyl-4-[[(1S)-1-methyl-3-…

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) 0.75 8.24 -42.57 2 7 1 77 343.455 5 ↓
Mid Mid (pH 6-8) 0.75 7.83 -13.37 1 7 0 76 342.447 5 ↓

Activity (Go SEA)

Rings

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

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