UCSF

ZINC39674980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 1.91 8.52 -63.93 3 7 1 84 459.014 6
Lo Low (pH 4.5-6) 1.91 8.65 -104.94 4 7 2 85 460.022 6

Activity (Go SEA)

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