UCSF

ZINC30879461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 29 Yes

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) 2.96 12.11 -63.5 1 6 0 78 403.567 10
Lo Low (pH 4.5-6) 2.96 10.98 -48.54 2 6 1 75 404.575 10

Activity (Go SEA)

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