UCSF

ZINC55074360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 4.07 10.93 -38.98 1 2 1 8 377.421 6
Hi High (pH 8-9.5) 4.07 8.46 -6.85 0 2 0 6 376.413 6

Activity (Go SEA)

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