UCSF

ZINC33714247

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 2.77 11.2 -52.56 1 8 1 69 484.665 7
Hi High (pH 8-9.5) 2.77 8.78 -15.91 0 8 0 67 483.657 7

Activity (Go SEA)

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