UCSF

ZINC33905739

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 No

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) 1.32 10.33 -48.44 1 7 -1 99 485.438 8
Mid Mid (pH 6-8) 1.32 10.93 -43.44 2 7 0 103 486.446 8
Mid Mid (pH 6-8) 1.32 11.25 -38.03 2 7 0 103 486.446 8

Activity (Go SEA)

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