UCSF

ZINC39331402

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 4.14 11.31 -46.37 1 3 1 31 342.846 2
Hi High (pH 8-9.5) 4.14 9.08 -6.09 0 3 0 30 341.838 2

Activity (Go SEA)

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