UCSF

ZINC44680687

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 0.20 3.24 -92.97 4 5 2 67 289.445 5
Hi High (pH 8-9.5) 0.20 0.94 -44.46 3 5 1 66 288.437 5

Activity (Go SEA)

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