UCSF

ZINC45321398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 6.59 15.81 -12.88 1 4 0 47 467.638 10
Lo Low (pH 4.5-6) 6.59 16.33 -33.76 2 4 1 48 468.646 10

Activity (Go SEA)

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