UCSF

ZINC43700009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) -1.95 1.99 -38.09 4 6 0 100 235.243 3
Hi High (pH 8-9.5) -1.95 1.65 -45.62 3 6 -1 98 234.235 3

Activity (Go SEA)

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