UCSF

ZINC48231346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 20 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) 4.39 10.6 -42.36 1 3 1 37 275.416 9
Hi High (pH 8-9.5) 4.39 8.65 -5 0 3 0 36 274.408 9

Activity (Go SEA)

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