UCSF

ZINC05594786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 19 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) -0.56 -7.05 -14.41 5 8 0 135 284.297 2
Lo Low (pH 4.5-6) -0.56 -6.77 -36 6 8 1 136 285.305 2
Lo Low (pH 4.5-6) -0.56 -10.47 -38.29 6 8 1 136 285.305 2

Activity (Go SEA)

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