UCSF

ZINC40470235

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) -1.48 4.68 -59.9 2 5 0 77 226.276 2
Hi High (pH 8-9.5) -1.48 3.43 -61.16 1 5 -1 72 225.268 2

Activity (Go SEA)

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