UCSF

ZINC42902315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.17 6.8 -45.52 3 2 1 31 340.31 5
Lo Low (pH 4.5-6) 3.17 8.28 -122.37 4 2 2 32 341.318 5

Activity (Go SEA)

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