UCSF

ZINC37191175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: 2-[(5-amino-2-pyridyl)sulfanylmethyl]-6-chloro-3H-quinazolin-4-one 2-[(5-amino-2-pyridyl)sulfanylme…

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) 2.69 4.68 -9.85 3 5 0 85 318.789 3 ↓
Mid Mid (pH 6-8) 3.15 2.25 -48.37 2 5 -1 88 317.781 3 ↓

Activity (Go SEA)

Rings

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

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