UCSF

ZINC36722916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 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) 0.66 5.2 -37.62 2 3 0 57 250.117 4
Hi High (pH 8-9.5) 0.66 3.87 -42.08 1 3 -1 52 249.109 4

Activity (Go SEA)

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