UCSF

ZINC69701103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 33 No

Popular Name: 4-[(6R)-3-(4-isopropylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-isopropylphenyl)-2-…

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) 5.84 12.68 -59.43 2 7 0 105 438.487 4 ↓
Hi High (pH 8-9.5) 6.30 11.9 -59.46 1 7 -1 108 437.479 4 ↓

Activity (Go SEA)

Rings

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

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