UCSF

ZINC34367482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 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) -0.27 6.74 -26.71 3 9 0 133 434.489 8
Hi High (pH 8-9.5) -0.27 5.77 -54.04 2 9 -1 128 433.481 8
Hi High (pH 8-9.5) -0.27 5.39 -50.29 2 9 -1 128 433.481 8

Activity (Go SEA)

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