UCSF

ZINC45647457

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) -0.32 6.52 -20.15 0 5 0 64 215.249 7
Hi High (pH 8-9.5) -0.31 5.46 -51.71 0 5 -1 70 214.241 7

Activity (Go SEA)

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