UCSF

ZINC34387440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 No

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) -0.96 6.29 -107.31 6 10 1 160 484.529 9
Hi High (pH 8-9.5) -0.96 4.48 -69.19 5 10 0 156 483.521 9
Mid Mid (pH 6-8) -0.96 5.22 -87.62 5 10 0 156 483.521 9

Activity (Go SEA)

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