UCSF

ZINC35125260

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 0.79 5.22 -46.71 2 4 1 50 236.339 5
Hi High (pH 8-9.5) 0.79 4.14 -10.77 1 4 0 45 235.331 5
Lo Low (pH 4.5-6) 0.79 4.6 -35.97 2 4 1 46 236.339 5

Activity (Go SEA)

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