UCSF

ZINC25451573

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.27 6.94 -14.68 2 6 0 83 384.819 3
Mid Mid (pH 6-8) 3.27 7.61 -52.9 1 6 -1 85 383.811 3

Activity (Go SEA)

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