UCSF

ZINC06800787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 Yes

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) 3.60 -2.37 -12.54 2 5 0 75 386.395 7
Hi High (pH 8-9.5) 3.60 -1.95 -49.76 1 5 -1 77 385.387 7

Activity (Go SEA)

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