UCSF

ZINC34846853

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 6.16 13.88 -18.72 2 6 0 84 504.615 8
Hi High (pH 8-9.5) 6.34 12.23 -48.73 1 6 -1 90 503.607 8

Activity (Go SEA)

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