UCSF

ZINC05924027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 16 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) 0.62 2.87 -33.16 5 6 1 97 218.24 2
Hi High (pH 8-9.5) 1.08 0.94 -49.74 4 6 0 100 217.232 2

Activity (Go SEA)

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