UCSF

ZINC31829302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 18 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) 2.59 4.22 -47.1 3 3 1 40 249.378 4
Mid Mid (pH 6-8) 2.59 6.38 -39.14 3 3 1 40 249.378 4
Mid Mid (pH 6-8) 2.59 6.64 -117.36 4 3 2 41 250.386 4

Activity (Go SEA)

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