UCSF

ZINC26898407

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 9 Yes

Other Names:

F2147-1042

MFCD09608108

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) 1.31 4.38 -26.73 2 2 1 30 125.195 2
Mid Mid (pH 6-8) 1.31 3.9 -7.54 1 2 0 29 124.187 2
Mid Mid (pH 6-8) 1.31 3.96 -6.06 1 2 0 29 124.187 2

Activity (Go SEA)

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