UCSF

ZINC00754361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 4.26 7.16 -14.77 4 7 0 110 405.483 5
Mid Mid (pH 6-8) 4.26 6.62 -55.32 3 7 -1 112 404.475 5

Activity (Go SEA)

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