UCSF

ZINC01386440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 No

Popular Name: 6-(4-nitrobenzyl)-7,8-dihydroimidazo[1,5-c]pyrimidin-5(6H)-one 6-(4-nitrobenzyl)-7,8-dihydroimi…

Find On: PubMed — Wikipedia — Google

CAS Number: 303986-91-6

Other Names:

MFCD01443823

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) 1.53 1.41 -17.19 0 7 0 83 272.264 3 ↓
Mid Mid (pH 6-8) 1.53 1.7 -44.95 1 7 1 85 273.272 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 174 KeyOrganics

Activity (Go SEA)

Rings

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

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