UCSF

ZINC52267136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 3.07 6.01 -47.98 1 3 -1 60 213.297 2
Lo Low (pH 4.5-6) 3.07 4.04 -6.42 2 3 0 58 214.305 2

Activity (Go SEA)

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