UCSF

ZINC38544029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 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) 4.29 10.65 -16.87 1 5 0 64 369.424 4
Lo Low (pH 4.5-6) 4.29 10.73 -26.3 2 5 1 65 370.432 4
Lo Low (pH 4.5-6) 4.29 11 -37.56 2 5 1 65 370.432 4

Activity (Go SEA)

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