UCSF

ZINC47422765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2010 20 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) 1.46 6.14 -11.82 0 4 0 46 334.217 4
Lo Low (pH 4.5-6) 1.46 6.61 -37.62 1 4 1 47 335.225 4

Activity (Go SEA)

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