UCSF

ZINC05050419

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 30 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) 5.73 14.38 -18.57 1 5 0 56 393.446 4
Mid Mid (pH 6-8) 5.73 14.8 -33.01 2 5 1 57 394.454 4

Activity (Go SEA)

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