UCSF

ZINC55054757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 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) 4.07 10.74 -43.42 2 4 1 37 386.604 7
Lo Low (pH 4.5-6) 4.07 10.78 -43.86 2 4 1 37 386.604 7

Activity (Go SEA)

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