UCSF

ZINC39797460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 24 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) -2.04 2.1 -73.98 6 8 0 142 332.36 7
Hi High (pH 8-9.5) -2.04 1.78 -53.74 5 8 -1 140 331.352 7

Activity (Go SEA)

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