UCSF

ZINC22056311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 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) -0.86 5.39 -99.32 2 7 0 91 347.346 2
Hi High (pH 8-9.5) -0.86 3.97 -64.31 1 7 -1 87 346.338 2

Activity (Go SEA)

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