UCSF

ZINC33756085

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) 3.25 11.32 -43.91 1 4 1 28 324.448 5
Mid Mid (pH 6-8) 3.25 8.97 -7.25 0 4 0 27 323.44 5

Activity (Go SEA)

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