UCSF

ZINC11592583

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 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) -2.08 -3.75 -57 5 8 1 114 269.281 2
Mid Mid (pH 6-8) -2.08 -10.37 -32.42 5 8 1 113 269.281 2
Lo Low (pH 4.5-6) -2.08 -3.34 -99.07 6 8 2 115 270.289 2

Activity (Go SEA)

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