UCSF

ZINC47828947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 18 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) 1.99 4.73 -53.5 4 3 1 60 261.37 5
Hi High (pH 8-9.5) 1.99 3.36 -9.72 3 3 0 55 260.362 5

Activity (Go SEA)

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