UCSF

ZINC52259124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 1.93 5.31 -45.11 1 3 -1 60 258.091 3
Lo Low (pH 4.5-6) 1.93 3.34 -8 2 3 0 58 259.099 3

Activity (Go SEA)

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