UCSF

ZINC25495468

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 16 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) 0.33 3.94 -115.45 1 5 -2 100 222.196 5
Lo Low (pH 4.5-6) 0.33 2.82 -50.4 2 5 -1 98 223.204 5
Lo Low (pH 4.5-6) 0.33 2.82 -55.39 2 5 -1 98 223.204 5

Activity (Go SEA)

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