UCSF

ZINC22024949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 2.53 9.67 -37.89 1 6 1 46 412.554 8
Hi High (pH 8-9.5) 2.53 7.42 -12.28 0 6 0 45 411.546 8

Activity (Go SEA)

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