UCSF

ZINC34826863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 13 No

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) 2.63 6.83 -37.92 2 1 1 17 196.339 4
Hi High (pH 8-9.5) 2.63 7.37 -33.18 2 1 0 17 195.331 4

Activity (Go SEA)

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