UCSF

ZINC43390055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 4.63 9.32 -42.82 2 1 1 17 284.807 5
Hi High (pH 8-9.5) 4.63 7.88 -4.52 1 1 0 12 283.799 5

Activity (Go SEA)

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