UCSF

ZINC40933332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 6.47 10.69 -54.77 2 4 -1 81 471.702 6
Lo Low (pH 4.5-6) 6.47 8.86 -7.42 3 4 0 78 472.71 6

Activity (Go SEA)

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