UCSF

ZINC34843004

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 2.17 7.69 -12.97 1 7 0 85 374.437 6
Lo Low (pH 4.5-6) 2.17 8.55 -45.79 2 7 1 90 375.445 6

Activity (Go SEA)

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