UCSF

ZINC37999688

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 No

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) 0.14 0.26 -64.77 3 5 1 80 249.356 6
Hi High (pH 8-9.5) 0.14 -1.11 -17.38 2 5 0 75 248.348 6

Activity (Go SEA)

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