UCSF

ZINC38219057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 18 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) 1.39 3.21 -16.37 2 6 0 97 250.206 3
Hi High (pH 8-9.5) 1.39 4.24 -52.24 1 6 -1 100 249.198 3
Hi High (pH 8-9.5) 1.39 4.14 -41.17 1 6 -1 100 249.198 3

Activity (Go SEA)

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