UCSF

ZINC31898922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 2.65 7.93 -50.7 3 2 1 37 276.787 5
Hi High (pH 8-9.5) 2.65 7.64 -3.42 2 2 0 35 275.779 5

Activity (Go SEA)

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