UCSF

ZINC44516243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.41 9.48 -167.82 4 3 3 25 270.485 5
Hi High (pH 8-9.5) 2.41 8.39 -73.09 3 3 2 21 269.477 5

Activity (Go SEA)

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