UCSF

ZINC06623201

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 26 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) 3.44 -2.32 -15.82 1 8 0 114 401.372 5
Hi High (pH 8-9.5) 3.44 -1.75 -40.2 0 8 -1 116 400.364 5

Activity (Go SEA)

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