UCSF

ZINC48287938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 17 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) 2.11 4.51 -39.37 2 4 1 42 232.307 5
Hi High (pH 8-9.5) 2.11 2.08 -7.66 1 4 0 41 231.299 5

Activity (Go SEA)

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