UCSF

ZINC04774208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 18 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) 4.39 9.82 -7.5 0 1 0 13 231.298 2
Lo Low (pH 4.5-6) 4.39 10.05 -24.94 1 1 1 14 232.306 2

Activity (Go SEA)

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