UCSF

ZINC34962834

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.68 9.37 -42.23 2 3 1 25 248.375 4
Hi High (pH 8-9.5) 1.68 6.9 -13.41 1 3 0 24 247.367 4

Activity (Go SEA)

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