UCSF

ZINC45689086

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.52 6.92 -92.04 3 3 2 24 245.455 11
Hi High (pH 8-9.5) 2.52 6.54 -105.03 3 3 2 24 245.455 11
Hi High (pH 8-9.5) 2.52 7.94 -103.92 3 3 2 21 245.455 11
Hi High (pH 8-9.5) 2.52 4.47 -35.48 2 3 1 23 244.447 11

Activity (Go SEA)

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