UCSF

ZINC17029172

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 0.69 4.73 -12.5 2 5 0 75 255.277 1
Hi High (pH 8-9.5) 1.15 2.69 -42.14 1 5 -1 78 254.269 1
Hi High (pH 8-9.5) 1.33 -0.03 -49.34 1 5 -1 81 254.269 1

Activity (Go SEA)

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