UCSF

ZINC48707384

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 1.77 3.9 -46.65 4 5 1 77 343.245 8
Hi High (pH 8-9.5) 1.77 1.97 -14.94 3 5 0 75 342.237 8

Activity (Go SEA)

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