UCSF

ZINC34670176

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 4.04 12.6 -94.34 3 5 2 51 419.635 11
Hi High (pH 8-9.5) 4.04 10.46 -40.57 2 5 1 50 418.627 11

Activity (Go SEA)

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