UCSF

ZINC67955865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 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) 2.73 9.36 -97.79 3 2 2 21 258.409 3
Hi High (pH 8-9.5) 2.73 6.84 -40.59 2 2 1 20 257.401 3

Activity (Go SEA)

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