UCSF

ZINC27426884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 35 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) 1.82 6.46 -46.3 7 8 1 131 478.617 11
Hi High (pH 8-9.5) 1.82 6.86 -14.62 6 8 0 129 477.609 11

Activity (Go SEA)

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