UCSF

ZINC47962652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

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) 0.74 3.08 -9.93 2 6 0 85 284.337 5
Hi High (pH 8-9.5) 0.93 2.33 -45.1 1 6 -1 91 283.329 5

Activity (Go SEA)

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