UCSF

ZINC38726814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 23 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) 1.47 2.73 -15.66 3 6 0 79 338.477 8
Lo Low (pH 4.5-6) 1.47 4.93 -52.4 4 6 1 80 339.485 8

Activity (Go SEA)

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