UCSF

ZINC27231869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 1.83 9.79 -39.1 1 4 1 35 231.323 2
Hi High (pH 8-9.5) 1.83 7.47 -14.15 0 4 0 33 230.315 2

Activity (Go SEA)

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