UCSF

ZINC44518010

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 1.12 6.54 -111.41 4 4 2 65 275.396 5
Hi High (pH 8-9.5) 1.12 5.3 -38.75 3 4 1 60 274.388 5

Activity (Go SEA)

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