UCSF

ZINC21788135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) -0.81 0.09 -58.26 4 5 1 83 273.378 6
Hi High (pH 8-9.5) -0.81 -0.24 -9.54 3 5 0 81 272.37 6

Activity (Go SEA)

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