UCSF

ZINC16124821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 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) 3.47 8.03 -10.68 1 3 0 46 248.285 2
Hi High (pH 8-9.5) 3.92 7.13 -50.12 0 3 -1 49 247.277 2

Activity (Go SEA)

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