UCSF

ZINC35812036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 22 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) 2.11 5.44 -7.85 0 4 0 35 302.349 5
Lo Low (pH 4.5-6) 2.11 7.73 -48.39 1 4 1 36 303.357 5
Lo Low (pH 4.5-6) 2.11 5.9 -37.9 1 4 1 36 303.357 5

Activity (Go SEA)

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