UCSF

ZINC39350576

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 19 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) 0.72 3.69 -52.26 3 5 1 61 259.333 2
Hi High (pH 8-9.5) 0.72 2.38 -9.74 2 5 0 57 258.325 2

Activity (Go SEA)

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