UCSF

ZINC06547609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 25 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) 6.26 10.78 -43.92 0 3 -1 44 349.479 4
Lo Low (pH 4.5-6) 6.26 11.46 -13.08 1 3 0 42 350.487 4

Activity (Go SEA)

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