UCSF

ZINC19836875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 2.21 10.16 -45.05 2 7 1 67 425.601 5
Hi High (pH 8-9.5) 2.21 7.73 -10.85 1 7 0 66 424.593 5

Activity (Go SEA)

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