UCSF

ZINC17314393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 13 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) 2.61 6.77 -47.7 0 2 -1 40 181.255 1
Lo Low (pH 4.5-6) 2.61 4.87 -4.39 1 2 0 37 182.263 1

Activity (Go SEA)

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