UCSF

ZINC41679244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 No

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) 4.32 10.66 -39.87 1 3 1 22 329.295 6
Hi High (pH 8-9.5) 4.32 8.57 -6.19 0 3 0 21 328.287 6

Activity (Go SEA)

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