UCSF

ZINC31934820

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.47 5.18 -61.07 4 5 1 83 336.481 7
Hi High (pH 8-9.5) 2.47 3.77 -15.05 3 5 0 78 335.473 7
Hi High (pH 8-9.5) 2.93 4.12 -50.07 3 5 0 86 335.473 7

Activity (Go SEA)

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