UCSF

ZINC34351594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 33 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) 6.92 15.15 -46.58 3 5 1 53 453.695 10
Hi High (pH 8-9.5) 6.92 13.01 -10.77 2 5 0 51 452.687 10

Activity (Go SEA)

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