UCSF

ZINC33723335

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 3.87 12.17 -69.73 1 7 0 83 466.578 12
Lo Low (pH 4.5-6) 3.87 10.88 -48.11 2 7 1 81 467.586 12

Activity (Go SEA)

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