UCSF

ZINC25105833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 25 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) 4.78 8.84 -45.43 3 3 1 46 401.324 7
Hi High (pH 8-9.5) 4.78 7.57 -9.5 2 3 0 41 400.316 7

Activity (Go SEA)

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