UCSF

ZINC42420372

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) -0.74 -1.56 -86.18 4 6 0 114 250.301 5
Hi High (pH 8-9.5) -0.74 -1.96 -94.83 3 6 -1 116 249.293 5

Activity (Go SEA)

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