UCSF

ZINC04982004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 29 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) 3.11 8.5 -53.56 3 7 1 75 401.531 4
Mid Mid (pH 6-8) 3.11 6.39 -19.93 2 7 0 74 400.523 4

Activity (Go SEA)

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