UCSF

ZINC33824489

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 32 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) 6.24 14.76 -46.94 1 3 1 17 466.07 5
Mid Mid (pH 6-8) 6.24 12.5 -5.87 0 3 0 16 465.062 5

Activity (Go SEA)

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