UCSF

ZINC25074717

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 21 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) -0.69 1.21 -22.32 2 8 0 112 317.367 7
Hi High (pH 8-9.5) -0.69 1.88 -50.42 1 8 -1 109 316.359 7

Activity (Go SEA)

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