UCSF

ZINC31484701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 36 No

Other Names:

CI Pigment Blue 1

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) 4.21 18.66 -40.88 2 3 0 19 479.712 9
Mid Mid (pH 6-8) 4.21 18.32 -19.76 1 3 1 18 478.704 9

Activity (Go SEA)

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