UCSF

ZINC41533019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 No

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) 3.68 12.58 -66.85 1 7 0 87 464.562 10
Lo Low (pH 4.5-6) 3.68 11.7 -44.72 2 7 1 84 465.57 10

Activity (Go SEA)

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