UCSF

ZINC42033843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.09 6.14 -99.73 4 3 2 41 244.423 9
Hi High (pH 8-9.5) 2.09 5.91 -37.34 3 3 1 44 243.415 9
Hi High (pH 8-9.5) 2.09 3.94 -33.56 3 3 1 37 243.415 9

Activity (Go SEA)

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