UCSF

ZINC31934824

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.30 3.29 -52.97 4 5 1 83 294.4 5
Hi High (pH 8-9.5) 1.30 2.12 -14.84 3 5 0 78 293.392 5
Hi High (pH 8-9.5) 1.76 2.23 -44.01 3 5 0 86 293.392 5

Activity (Go SEA)

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