UCSF

ZINC45651189

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) -0.75 3.92 -54.07 2 4 0 57 186.255 4
Mid Mid (pH 6-8) -0.75 2.71 -32.68 2 4 0 60 186.255 4
Lo Low (pH 4.5-6) -0.75 5.06 -82.41 3 4 1 61 187.263 4

Activity (Go SEA)

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