UCSF

ZINC55183364

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 1.54 7.29 -11.9 1 6 0 70 353.85 7
Hi High (pH 8-9.5) 1.73 7.79 -56.15 0 6 -1 76 352.842 7

Activity (Go SEA)

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