UCSF

ZINC19395447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

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) 0.50 0.44 -44.27 3 4 1 59 197.258 6
Hi High (pH 8-9.5) 0.50 0.05 -6.44 2 4 0 57 196.25 6

Activity (Go SEA)

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