UCSF

ZINC42562995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 2.43 6.4 -92.69 5 4 2 61 293.455 7
Hi High (pH 8-9.5) 2.43 5.62 -33.72 4 4 1 60 292.447 7

Activity (Go SEA)

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