UCSF

ZINC20898967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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) 1.90 5.4 -14.12 3 8 0 97 404.492 6
Mid Mid (pH 6-8) 2.36 4.35 -52.94 2 8 -1 100 403.484 6

Activity (Go SEA)

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