UCSF

ZINC04989434

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 22 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) 3.99 11.58 -119 3 2 2 21 316.876 5
Hi High (pH 8-9.5) 3.99 10.39 -39.16 2 2 1 16 315.868 5

Activity (Go SEA)

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