UCSF

ZINC39124415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 24 Yes

Popular Name: Pyrimido[4,5-g]quinazoline-4,9-dione, 3,8-dihydro-5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethyl- Pyrimido[4,5-g]quinazoline-4,9-d…

Find On: PubMed — Wikipedia — Google

CAS Number: 143430-38-0

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) -1.58 -3.43 -25.93 4 10 0 151 334.288 2 ↓
Hi High (pH 8-9.5) -1.58 -1.18 -157.73 2 10 -2 156 332.272 2 ↓
Hi High (pH 8-9.5) -1.58 -1.87 -72.27 3 10 -1 154 333.28 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5639881 IBM Patent Data

Activity (Go SEA)

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