UCSF

ZINC25516818

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.81 8.87 -9.84 1 5 0 68 372.519 4
Hi High (pH 8-9.5) 3.88 7.77 -43.37 0 5 -1 74 371.511 4

Activity (Go SEA)

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