UCSF

ZINC31915530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 No

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) 4.06 9.74 -10.65 0 4 0 36 328.799 2
Mid Mid (pH 6-8) 4.06 10.17 -28.41 1 4 1 37 329.807 2

Activity (Go SEA)

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