UCSF

ZINC34334225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 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) -0.25 0.3 -35.44 4 3 1 57 168.216 2
Hi High (pH 8-9.5) -0.25 -0.11 -4.76 3 3 0 55 167.208 2
Hi High (pH 8-9.5) -0.25 1 -24.81 3 3 0 60 167.208 2

Activity (Go SEA)

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