UCSF

ZINC22699735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 16 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) 0.03 -0.03 -35.5 0 6 -1 78 222.224 1
Lo Low (pH 4.5-6) -0.43 0.79 -10.03 1 6 0 75 223.232 1

Activity (Go SEA)

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