UCSF

ZINC39854010

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 22 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) 4.68 7.71 -9.44 1 4 0 55 379.641 2
Hi High (pH 8-9.5) 4.68 8.84 -56.32 0 4 -1 57 378.633 2

Activity (Go SEA)

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