UCSF

ZINC37035493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.79 3.98 -54.21 4 4 1 73 250.347 4
Hi High (pH 8-9.5) 1.25 1.55 -75.97 3 4 0 76 249.339 4

Activity (Go SEA)

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