UCSF

ZINC69560801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 Yes

Popular Name: (1R)-1-(4-methoxyphenyl)-2-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylami (1R)-1-(4-methoxyphenyl)-2-[[(6R…

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) 1.13 3.57 -59.98 4 6 1 76 317.413 6 ↓
Hi High (pH 8-9.5) 1.13 2.37 -10.24 3 6 0 71 316.405 6 ↓
Mid Mid (pH 6-8) 1.13 3.69 -102.4 5 6 2 77 318.421 6 ↓

Activity (Go SEA)

Rings

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

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