UCSF

ZINC44880681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) 1.69 6.3 -44.46 2 3 1 37 225.287 5
Hi High (pH 8-9.5) 1.69 4.92 -9.79 1 3 0 32 224.279 5

Activity (Go SEA)

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