UCSF

ZINC53660626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 Yes

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) 3.74 10.09 -97.29 3 2 2 21 298.421 5
Hi High (pH 8-9.5) 3.74 7.82 -36.41 2 2 1 20 297.413 5

Activity (Go SEA)

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