UCSF

ZINC12538951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 Yes

Popular Name: 6-chloro-2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one 6-chloro-2-[(4,6-diaminopyrimidi…

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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) 2.32 3.47 -12.14 5 7 0 124 334.792 3 ↓
Lo Low (pH 4.5-6) 2.32 3.75 -42.9 6 7 1 125 335.8 3 ↓
Lo Low (pH 4.5-6) 2.32 4.04 -116.6 7 7 2 126 336.808 3 ↓

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

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