UCSF

ZINC16579025

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 18 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) 0.60 -0.95 -15.09 2 6 0 92 290.366 5
Hi High (pH 8-9.5) 0.60 -0.86 -38.71 1 6 -1 94 289.358 5

Activity (Go SEA)

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