UCSF

ZINC03924773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 48 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) 8.81 20.56 -14.51 2 8 0 71 652.928 10
Mid Mid (pH 6-8) 8.81 21.33 -30.53 3 8 0 72 653.936 10

Activity (Go SEA)

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