UCSF

ZINC69660755

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 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) 0.86 3.1 -34.34 2 5 1 46 270.397 5
Hi High (pH 8-9.5) 0.86 1.22 -7.94 1 5 0 45 269.389 5
Lo Low (pH 4.5-6) 0.86 3.56 -34.09 2 5 1 46 270.397 5

Activity (Go SEA)

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