UCSF

ZINC06117210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 12 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) 1.55 4.07 -9.32 1 3 0 41 163.176 0
Hi High (pH 8-9.5) 1.55 5.2 -62.96 0 3 -1 43 162.168 0

Activity (Go SEA)

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