UCSF

ZINC53268324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 22 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) 3.29 8.55 -10.82 1 6 0 78 303.293 5
Lo Low (pH 4.5-6) 3.29 8.8 -61.22 2 6 0 79 304.301 5

Activity (Go SEA)

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