UCSF

ZINC66354662

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 14 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) 0.26 2.32 -43.19 2 4 1 46 199.274 2
Hi High (pH 8-9.5) 0.26 0.97 -4.68 1 4 0 42 198.266 2

Activity (Go SEA)

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