UCSF

ZINC33752480

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 4.42 12.76 -70.36 1 7 0 83 480.605 12
Lo Low (pH 4.5-6) 4.42 11.47 -52.41 2 7 1 81 481.613 12

Activity (Go SEA)

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