UCSF

ZINC39779010

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 19 Yes

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) 2.09 6.48 -123.73 4 3 2 41 262.397 2
Hi High (pH 8-9.5) 2.09 5.05 -44.95 3 3 1 40 261.389 2
Mid Mid (pH 6-8) 2.09 6.17 -32.46 3 3 1 40 261.389 2

Activity (Go SEA)

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