UCSF

ZINC05376503

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 No

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) 4.33 6.14 -18.39 2 5 0 71 352.415 6
Mid Mid (pH 6-8) 4.33 5.56 -46.29 1 5 -1 74 351.407 6

Activity (Go SEA)

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