UCSF

ZINC06805613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 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) 3.02 8.69 -44.98 3 4 0 73 298.317 5
Hi High (pH 8-9.5) 3.02 7.34 -48.32 2 4 -1 68 297.309 5

Activity (Go SEA)

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