UCSF

ZINC00590185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.11 4.64 -21.9 2 9 0 119 496.927 9
Lo Low (pH 4.5-6) 0.11 4.91 -53.48 3 9 1 120 497.935 9
Lo Low (pH 4.5-6) 0.11 4.82 -52.67 3 9 1 120 497.935 9
Lo Low (pH 4.5-6) 0.11 5.09 -93.2 4 9 2 121 498.943 9

Activity (Go SEA)

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