UCSF

ZINC37869713

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) 1.19 0.55 -35.8 4 3 1 60 145.226 5
Hi High (pH 8-9.5) 1.19 -0.47 -5.96 3 3 0 55 144.218 5

Activity (Go SEA)

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