UCSF

ZINC36382363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 2.75 7.81 -20.56 2 8 0 100 480.59 9
Lo Low (pH 4.5-6) 2.75 8.88 -40.22 3 8 1 102 481.598 9

Activity (Go SEA)

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