UCSF

ZINC41542298

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) 3.49 11.05 -62.99 1 5 0 65 410.901 6
Lo Low (pH 4.5-6) 3.49 10.3 -44.17 2 5 1 62 411.909 6

Activity (Go SEA)

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