UCSF

ZINC39126493

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) -1.68 0.42 -48.99 4 4 1 70 186.26 2
Hi High (pH 8-9.5) -1.68 0.1 -8.45 3 4 0 68 185.252 2

Activity (Go SEA)

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