UCSF

ZINC34928669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) -1.49 4.37 -29.47 3 6 0 99 233.227 2
Mid Mid (pH 6-8) -1.49 2.93 -55.42 2 6 -1 94 232.219 2
Mid Mid (pH 6-8) -1.49 3.4 -62.5 3 6 0 95 233.227 2

Activity (Go SEA)

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