UCSF

ZINC20470246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 3.83 5.58 -51.18 3 3 1 50 285.754 3
Hi High (pH 8-9.5) 3.83 5.18 -6.65 2 3 0 48 284.746 3

Activity (Go SEA)

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