UCSF

ZINC36966111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 27 No

Popular Name: N-[(5S,7R)-2-amino-7-[4-fluoro-2-(3-pyridyl)phenyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]hydro N-[(5S,7R)-2-amino-7-[4-fluoro-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.57 6.1 -11.2 4 6 0 97 365.412 3 ↓
Mid Mid (pH 6-8) 2.57 6.53 -31.68 5 6 1 98 366.42 3 ↓
Mid Mid (pH 6-8) 2.57 6.54 -32.87 5 6 1 98 366.42 3 ↓

Activity (Go SEA)

Rings

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

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