UCSF

ZINC24898237

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 33 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) 2.90 11.3 -47.59 2 7 1 66 451.591 5
Mid Mid (pH 6-8) 2.90 9.76 -17.55 1 7 0 65 450.583 5

Activity (Go SEA)

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