UCSF

ZINC39849408

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 3.05 12.49 -73.77 1 8 0 104 466.534 12
Lo Low (pH 4.5-6) 3.05 11.59 -48.19 2 8 1 101 467.542 12

Activity (Go SEA)

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