UCSF

ZINC34365765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 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) 6.11 11.74 -42.86 3 5 1 59 478.012 7
Hi High (pH 8-9.5) 6.11 9.53 -11.3 2 5 0 58 477.004 7

Activity (Go SEA)

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