UCSF

ZINC23069054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 1.36 5.89 -103.47 4 3 2 47 209.337 1
Hi High (pH 8-9.5) 1.36 5.46 -44.61 3 3 1 45 208.329 1

Activity (Go SEA)

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