UCSF

ZINC20879047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 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) 5.55 10.14 -60.99 1 7 -1 89 499.337 8
Lo Low (pH 4.5-6) 5.55 9.03 -16.69 2 7 0 86 500.345 8

Activity (Go SEA)

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