UCSF

ZINC50153800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 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) 1.20 4.79 -41.71 2 3 1 37 237.298 3
Lo Low (pH 4.5-6) 1.20 6.77 -118.71 3 3 2 38 238.306 3

Activity (Go SEA)

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