UCSF

ZINC06672714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 24 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) 4.45 7.03 -13.46 2 5 0 74 341.798 3
Hi High (pH 8-9.5) 4.91 5.3 -48.29 1 5 -1 77 340.79 3

Activity (Go SEA)

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