UCSF

ZINC23043302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 26 Yes

Popular Name: 7-chloro-2-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[(2,3-dimethoxypheny…

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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) 2.77 6.16 -16.57 1 6 0 67 373.84 6 ↓
Hi High (pH 8-9.5) 3.22 4 -47.12 0 6 -1 71 372.832 6 ↓
Mid Mid (pH 6-8) 3.22 7.98 -38.28 1 6 0 72 373.84 6 ↓
Mid Mid (pH 6-8) 2.77 9.03 -53.96 2 6 1 69 374.848 6 ↓

Activity (Go SEA)

Rings

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

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