UCSF

ZINC25445452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 3.39 10.82 -19.51 1 6 0 75 422.554 5
Hi High (pH 8-9.5) 3.58 9.73 -55.7 0 6 -1 82 421.546 5

Activity (Go SEA)

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