UCSF

ZINC39826944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.85 12.99 -73.8 1 6 0 74 470.997 11
Lo Low (pH 4.5-6) 4.85 12.25 -51.07 2 6 1 71 472.005 11

Activity (Go SEA)

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