UCSF

ZINC32751360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 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) 2.12 11.83 -52.92 1 5 1 62 340.447 9
Hi High (pH 8-9.5) 2.12 9.49 -17.04 0 5 0 60 339.439 9

Activity (Go SEA)

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