UCSF

ZINC16940741

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 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) 1.64 5.74 -28.95 4 3 1 52 208.31 0
Hi High (pH 8-9.5) 1.64 5.25 -9.59 3 3 0 50 207.302 0

Activity (Go SEA)

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