UCSF

ZINC25419345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) -0.29 1.05 -9.05 2 5 0 61 259.309 2
Mid Mid (pH 6-8) -0.29 2.4 -49.06 3 5 1 66 260.317 2

Activity (Go SEA)

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