UCSF

ZINC37052051

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) 0.60 6.43 -11.32 2 3 0 46 270.307 2
Mid Mid (pH 6-8) 0.60 6.74 -44.94 3 3 1 48 271.315 2

Activity (Go SEA)

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