UCSF

ZINC33887905

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 27 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) 2.55 5.14 -8.27 2 6 0 76 362.433 4
Mid Mid (pH 6-8) 2.55 7.35 -40.94 3 6 1 77 363.441 4

Activity (Go SEA)

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