UCSF

ZINC04891332

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 15 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) 0.94 2.54 -6.75 1 3 0 41 202.257 1
Lo Low (pH 4.5-6) 0.94 3.36 -30.33 2 3 1 43 203.265 1

Activity (Go SEA)

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