UCSF

ZINC44518132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 0.69 5.76 -171.05 5 4 3 46 260.446 8
Hi High (pH 8-9.5) 0.69 6.28 -93.74 4 4 2 49 259.438 8
Hi High (pH 8-9.5) 0.69 4.31 -75.48 4 4 2 41 259.438 8

Activity (Go SEA)

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