UCSF

ZINC52304156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.65 5.15 -55.87 3 4 1 55 286.277 6
Lo Low (pH 4.5-6) 1.65 5.38 -111.75 4 4 2 56 287.285 6

Activity (Go SEA)

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