UCSF

ZINC33671836

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.56 11.39 -47.27 2 8 1 80 450.592 8
Mid Mid (pH 6-8) 3.56 9.16 -13.22 1 8 0 79 449.584 8

Activity (Go SEA)

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