UCSF

ZINC37191987

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(6-amino-3-pyridyl)sulfanylmethyl]-6-chloro-3H-quinazolin-4-one 2-[(6-amino-3-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) 2.53 5.36 -11.64 3 5 0 85 318.789 3 ↓
Mid Mid (pH 6-8) 2.98 2.93 -45.65 2 5 -1 88 317.781 3 ↓
Lo Low (pH 4.5-6) 2.53 5.84 -41.58 4 5 1 86 319.797 3 ↓

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

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