UCSF

ZINC37190887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

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

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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) 1.82 4.24 -10.86 3 5 0 85 284.344 3 ↓
Hi High (pH 8-9.5) 2.28 1.81 -52.28 2 5 -1 88 283.336 3 ↓

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

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