UCSF

ZINC45687863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.75 3.24 -31.61 4 5 1 78 210.257 6
Hi High (pH 8-9.5) 0.75 2.74 -9.46 3 5 0 77 209.249 6

Activity (Go SEA)

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