UCSF

ZINC06553829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 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) 2.78 6.22 -14.51 2 6 0 91 389.407 5
Mid Mid (pH 6-8) 2.19 6.92 -21.85 1 6 0 88 389.407 5

Activity (Go SEA)

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