UCSF

ZINC43404322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.75 1.89 -45.75 4 4 1 74 205.237 2
Hi High (pH 8-9.5) 0.75 1.48 -10.88 3 4 0 72 204.229 2

Activity (Go SEA)

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