UCSF

ZINC34469085

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 5.86 12.47 -11.76 0 1 0 13 293.369 0
Mid Mid (pH 6-8) 5.86 12.75 -24.09 1 1 1 14 294.377 0

Activity (Go SEA)

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