UCSF

ZINC22185135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 31 No

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) 5.66 14.39 -60.04 0 4 -1 60 473.346 5
Lo Low (pH 4.5-6) 5.66 13.43 -14.35 1 4 0 58 474.354 5

Activity (Go SEA)

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