UCSF

ZINC69701095

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 34 No

Popular Name: 4-[(6R)-3-(4-tert-butylphenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6R)-3-(4-tert-butylphenyl)-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) 6.03 13.09 -59.34 2 7 0 105 452.514 4 ↓
Hi High (pH 8-9.5) 6.49 12.3 -59.4 1 7 -1 108 451.506 4 ↓

Activity (Go SEA)

Rings

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

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