UCSF

ZINC06753117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 4.97 10.96 -12.46 0 5 0 46 374.44 8
Lo Low (pH 4.5-6) 4.97 11.61 -32.34 1 5 1 47 375.448 8

Activity (Go SEA)

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