UCSF

ZINC41556560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.50 7.45 -8.29 2 5 0 71 367.836 5
Lo Low (pH 4.5-6) 2.50 7.92 -39.81 3 5 1 72 368.844 5

Activity (Go SEA)

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