UCSF

ZINC24193045

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 35 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) -0.90 12.63 -31.94 3 8 1 106 465.537 6
Lo Low (pH 4.5-6) -0.90 13.07 -79.32 4 8 2 108 466.545 6

Activity (Go SEA)

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