UCSF

ZINC36222234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.60 8.34 -10.31 2 4 0 53 287.75 3
Lo Low (pH 4.5-6) 3.60 8.66 -24.39 3 4 1 54 288.758 3

Activity (Go SEA)

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