UCSF

ZINC19410233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.56 8.42 -17.17 0 3 0 37 239.702 4
Hi High (pH 8-9.5) 2.30 8.36 -45.92 0 3 -1 43 238.694 3

Activity (Go SEA)

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