UCSF

ZINC43993945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 1.63 7.8 -93.75 3 3 2 36 209.337 4
Hi High (pH 8-9.5) 1.63 7.33 -38.98 2 3 1 34 208.329 4

Activity (Go SEA)

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