UCSF

ZINC21303626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 20 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) 2.73 0.01 -55.05 3 6 -1 112 269.236 2
Mid Mid (pH 6-8) 2.73 0.79 -90.64 2 6 -2 115 268.228 2

Activity (Go SEA)

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