UCSF

ZINC28246672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 26 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) 0.78 2.94 -60.23 5 6 1 89 355.462 10
Hi High (pH 8-9.5) 0.78 4.62 -55.26 5 6 1 89 355.462 10
Hi High (pH 8-9.5) 0.78 2.56 -17.62 4 6 0 87 354.454 10

Activity (Go SEA)

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