UCSF

ZINC31559579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 33 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) 5.03 12.16 -58.06 2 5 0 52 454.631 7
Hi High (pH 8-9.5) 5.03 9.98 -3.58 1 5 0 51 453.623 7

Activity (Go SEA)

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