UCSF

ZINC25178760

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 19 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) 2.69 8.97 -15.39 1 4 0 47 257.337 6
Mid Mid (pH 6-8) 2.69 9.45 -44.39 2 4 1 48 258.345 6

Activity (Go SEA)

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