UCSF

ZINC33794625

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.27 7.92 -40.3 3 4 1 46 340.472 3
Mid Mid (pH 6-8) 3.27 5.64 -10.35 2 4 0 44 339.464 3

Activity (Go SEA)

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