UCSF

ZINC27097928

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 34 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) 5.62 13.39 -60.15 2 7 1 90 466.554 8
Hi High (pH 8-9.5) 5.62 13.92 -38.54 1 7 0 93 465.546 8

Activity (Go SEA)

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