UCSF

ZINC24417151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 32 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) 4.72 13.09 -12.82 0 6 0 54 470.042 7
Lo Low (pH 4.5-6) 4.72 15.07 -49.13 1 6 1 55 471.05 7

Activity (Go SEA)

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