UCSF

ZINC25371295

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 17 No

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) 1.86 6.41 -45.82 2 6 1 75 239.299 5
Hi High (pH 8-9.5) 1.86 4.22 -6.19 1 6 0 74 238.291 5

Activity (Go SEA)

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