UCSF

ZINC37052104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.48 6.64 -7.72 2 3 0 46 351.631 2
Mid Mid (pH 6-8) 1.48 6.96 -45.42 3 3 1 48 352.639 2

Activity (Go SEA)

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