UCSF

ZINC33717854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 8.00 17.77 -10.97 0 6 0 64 517.695 9
Mid Mid (pH 6-8) 8.00 17.89 -58.83 1 6 0 65 518.703 9

Activity (Go SEA)

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