UCSF

ZINC26422652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 19 No

Other Names:

MFCD16653027

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) 2.72 3.12 -8.25 0 4 0 47 283.393 4
Lo Low (pH 4.5-6) 2.72 5.65 -42.21 1 4 1 48 284.401 4

Activity (Go SEA)

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