UCSF

ZINC47959397

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 23 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) 2.74 7.62 -39.37 2 5 1 54 338.859 6
Hi High (pH 8-9.5) 2.74 5.8 -7.53 1 5 0 53 337.851 6

Activity (Go SEA)

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