UCSF

ZINC21788808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 3.39 11.11 -44.19 1 6 1 61 379.362 7
Hi High (pH 8-9.5) 3.39 8.54 -13.09 0 6 0 60 378.354 7

Activity (Go SEA)

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