UCSF

ZINC43401163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.80 5.29 -33.92 4 4 1 68 233.339 3
Hi High (pH 8-9.5) 0.80 6.24 -6.36 3 4 0 66 232.331 3
Lo Low (pH 4.5-6) 0.80 5.73 -86.32 5 4 2 69 234.347 3

Activity (Go SEA)

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