UCSF

ZINC33755830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 24 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) 2.49 10.35 -26.52 1 3 1 36 324.444 6
Hi High (pH 8-9.5) 6.08 12.28 -13.86 0 3 0 33 323.436 7

Activity (Go SEA)

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