UCSF

ZINC22151203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 4.18 9.11 -128.77 4 2 2 32 296.543 4
Hi High (pH 8-9.5) 4.18 7.26 -45.39 3 2 1 31 295.535 4

Activity (Go SEA)

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