UCSF

ZINC33756099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 4.95 14.37 -43.96 1 4 1 28 386.519 6
Mid Mid (pH 6-8) 4.95 12.22 -9.39 0 4 0 27 385.511 6

Activity (Go SEA)

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