UCSF

ZINC25462042

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 4.04 8.92 -48.95 0 6 -1 78 495.474 8
Mid Mid (pH 6-8) 4.04 8.94 -14.28 1 6 0 76 496.482 8

Activity (Go SEA)

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