UCSF

ZINC43426002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.47 6.5 -25.94 1 4 0 54 241.331 3
Hi High (pH 8-9.5) 0.47 4.55 -46.6 0 4 -1 53 240.323 3

Activity (Go SEA)

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