UCSF

ZINC24823465

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 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) 3.85 10.3 -60.82 1 8 1 82 465.574 8
Mid Mid (pH 6-8) 3.85 8.06 -15.46 0 8 0 81 464.566 8

Activity (Go SEA)

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