UCSF

ZINC06528805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 27 Yes

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) 4.33 10.59 -14.42 1 5 0 63 401.297 5
Mid Mid (pH 6-8) 4.33 11.08 -30.89 2 5 1 65 402.305 5

Activity (Go SEA)

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