UCSF

ZINC23068447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) -0.79 4.09 -56.03 3 4 1 57 235.307 4
Hi High (pH 8-9.5) -0.79 3.79 -11.02 2 4 0 56 234.299 4

Activity (Go SEA)

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