UCSF

ZINC42426719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 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) 0.06 2.29 -13.5 4 6 0 93 278.356 6
Lo Low (pH 4.5-6) 0.06 2.18 -37.44 5 6 0 94 279.364 6

Activity (Go SEA)

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