UCSF

ZINC25445262

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 2.07 5.96 -20.49 1 7 0 83 349.412 5
Hi High (pH 8-9.5) 2.14 5.04 -49.23 0 7 -1 89 348.404 5

Activity (Go SEA)

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