UCSF

ZINC26314197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 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) 1.92 11.48 -21.48 1 6 0 73 365.396 3
Mid Mid (pH 6-8) 1.92 11.95 -52.86 2 6 1 74 366.404 3

Activity (Go SEA)

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