UCSF

ZINC04145768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 2.76 0.8 -13.47 1 6 0 69 375.428 6
Lo Low (pH 4.5-6) 2.76 0.92 -48.26 2 6 1 70 376.436 6

Activity (Go SEA)

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