UCSF

ZINC52262151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.52 6.45 -39.2 1 3 -1 60 290.108 4
Lo Low (pH 4.5-6) 2.52 4.05 -8.22 2 3 0 58 291.116 4

Activity (Go SEA)

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