UCSF

ZINC26171329

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 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) 5.22 14.71 -93.84 0 4 -2 80 360.494 12
Lo Low (pH 4.5-6) 5.22 12.73 -48.51 1 4 -1 77 361.502 12

Activity (Go SEA)

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