UCSF

ZINC06146613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 5.30 8.32 -11.23 2 5 0 75 418.534 5
Mid Mid (pH 6-8) 5.30 8.33 -47.66 1 5 -1 77 417.526 5

Activity (Go SEA)

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