UCSF

ZINC33725707

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 6.42 15.77 -14.86 0 5 0 49 517.46 5
Mid Mid (pH 6-8) 6.42 16.08 -42.74 1 5 1 51 518.468 5

Activity (Go SEA)

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