UCSF

ZINC05921712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 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) 2.50 5.94 -51.09 1 8 -1 124 367.337 6
Lo Low (pH 4.5-6) 2.50 5.17 -15.27 2 8 0 121 368.345 6

Activity (Go SEA)

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