UCSF

ZINC35520522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 2.71 9.09 -71.76 1 9 0 102 496.56 10
Lo Low (pH 4.5-6) 2.71 8.37 -49.47 2 9 1 99 497.568 10

Activity (Go SEA)

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