UCSF

ZINC05224245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 25 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) 3.73 10.6 -44.21 2 3 1 42 338.471 6
Hi High (pH 8-9.5) 3.73 8.43 -7.35 1 3 0 41 337.463 6

Activity (Go SEA)

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