UCSF

ZINC41228485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 2.84 11.1 -20.39 0 6 0 72 399.45 6
Lo Low (pH 4.5-6) 2.84 11.56 -46.51 1 6 1 74 400.458 6

Activity (Go SEA)

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