UCSF

ZINC37872214

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 10 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) -0.07 -0.76 -34.18 3 3 1 46 144.194 3
Hi High (pH 8-9.5) -0.07 -1.98 -3.56 2 3 0 41 143.186 3

Activity (Go SEA)

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