UCSF

ZINC20484626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 3.57 7.18 -93.62 5 4 2 61 293.455 10
Hi High (pH 8-9.5) 3.57 4.94 -50.88 4 4 1 60 292.447 10

Activity (Go SEA)

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