UCSF

ZINC01384532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 33 No

Popular Name: 4-(1,3-benzodioxol-5-yl)-2-[(3-methoxybenzyl)sulfanyl]-1,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one 4-(1,3-benzodioxol-5-yl)-2-[(3-m…

Find On: PubMed — Wikipedia — Google

CAS Number: 861211-19-0

Other Names:

MFCD04124980

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) 5.19 11.04 -16.74 1 6 0 69 456.523 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 152 - 154 KeyOrganics

Activity (Go SEA)

Rings

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

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