UCSF

ZINC32117350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 1.43 3.37 -63.15 2 4 1 60 270.374 5
Hi High (pH 8-9.5) 1.43 2.08 -13.29 1 4 0 55 269.366 5

Activity (Go SEA)

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