UCSF

ZINC31958692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.24 7.47 -60.14 4 5 1 74 323.42 6
Mid Mid (pH 6-8) 2.24 7.89 -85.57 5 5 2 75 324.428 6

Activity (Go SEA)

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