UCSF

ZINC41541865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 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) 3.46 11.01 -65.08 1 5 0 65 410.901 6
Lo Low (pH 4.5-6) 3.46 10.26 -45.7 2 5 1 62 411.909 6

Activity (Go SEA)

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