UCSF

ZINC08588834

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 35 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) 5.74 13.49 -35.85 2 6 0 80 496.966 10
Mid Mid (pH 6-8) 5.74 12.12 -47.08 1 6 -1 76 495.958 10

Activity (Go SEA)

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