UCSF

ZINC55369286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 29 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) 2.58 8.29 -45.9 1 7 1 69 396.515 9
Hi High (pH 8-9.5) 2.58 5.97 -13.09 0 7 0 68 395.507 9

Activity (Go SEA)

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