UCSF

ZINC35180277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) 1.76 5.77 -8.33 1 4 0 47 308.179 3
Lo Low (pH 4.5-6) 1.76 6.23 -40.64 2 4 1 48 309.187 3

Activity (Go SEA)

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