UCSF

ZINC20470245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 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) 4.14 6.37 -40.45 3 2 1 37 269.151 3
Hi High (pH 8-9.5) 4.14 5.99 -3.6 2 2 0 35 268.143 3

Activity (Go SEA)

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