UCSF

ZINC33848456

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 33 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) 0.49 -3.87 -19.15 6 11 0 179 462.407 5
Hi High (pH 8-9.5) 0.49 -2.89 -68.21 5 11 -1 182 461.399 5

Activity (Go SEA)

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