UCSF

ZINC09273903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 6.35 0.93 -9.92 0 5 0 55 465.578 6
Lo Low (pH 4.5-6) 6.35 1.04 -34.33 1 5 1 56 466.586 6

Activity (Go SEA)

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