UCSF

ZINC40409027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 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) 3.61 4.44 -48.85 5 4 1 77 313.421 5
Hi High (pH 8-9.5) 3.61 4.07 -9.17 4 4 0 75 312.413 5

Activity (Go SEA)

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