UCSF

ZINC47385465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 24 Yes

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) 3.15 9.62 -14.11 1 6 0 69 342.786 4
Lo Low (pH 4.5-6) 3.15 10.09 -33.75 2 6 1 70 343.794 4

Activity (Go SEA)

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