UCSF

ZINC22064261

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 35 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) 1.52 4.01 -23.56 2 8 0 83 480.609 10
Mid Mid (pH 6-8) 1.52 6.37 -64.11 3 8 1 84 481.617 10
Lo Low (pH 4.5-6) 1.52 8.72 -112.19 4 8 2 86 482.625 10

Activity (Go SEA)

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