UCSF

ZINC33825802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 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) 4.33 11.43 -33.16 2 2 1 16 297.466 9
Mid Mid (pH 6-8) 4.33 12.3 -105.83 3 2 2 21 298.474 9

Activity (Go SEA)

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