UCSF

ZINC48565971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 4.20 10.62 -8.18 0 3 0 29 287.432 2
Mid Mid (pH 6-8) 4.20 11.08 -26.55 1 3 1 30 288.44 2

Activity (Go SEA)

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