UCSF

ZINC09274338

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) 5.78 1.74 -8.9 0 5 0 55 473.504 6
Lo Low (pH 4.5-6) 5.78 1.85 -33.8 1 5 1 56 474.512 6

Activity (Go SEA)

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