UCSF

ZINC41679297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.80 10.87 -39.09 2 3 1 25 290.456 6
Hi High (pH 8-9.5) 2.80 8.41 -13.8 1 3 0 24 289.448 6

Activity (Go SEA)

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