UCSF

ZINC59859706

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.46 8.91 -51.66 0 6 -1 78 404.49 6
Lo Low (pH 4.5-6) 4.00 11.47 -10.22 1 6 0 75 405.498 6

Activity (Go SEA)

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