UCSF

ZINC20610785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 34 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) -1.03 5.21 -78.43 5 11 -1 179 466.474 10
Hi High (pH 8-9.5) -0.57 4.09 -136.74 4 11 -2 182 465.466 10

Activity (Go SEA)

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