UCSF

ZINC40927829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 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) 4.37 14.43 -54.49 0 6 -1 81 464.629 13
Lo Low (pH 4.5-6) 4.37 12.45 -14.84 1 6 0 78 465.637 13

Activity (Go SEA)

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