UCSF

ZINC42098465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 No

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) 2.63 7.03 -10.98 1 6 0 76 290.298 3
Lo Low (pH 4.5-6) 2.63 7.47 -41.34 2 6 1 77 291.306 3

Activity (Go SEA)

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