UCSF

ZINC55527544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 20 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) 1.32 8.05 -96.82 2 5 2 42 281.4 5
Hi High (pH 8-9.5) 1.32 5.73 -43.39 1 5 1 41 280.392 5

Activity (Go SEA)

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