UCSF

ZINC36200248

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -1.07 2.63 -47.27 3 5 1 68 230.332 5
Hi High (pH 8-9.5) -1.07 2.39 -12.06 2 5 0 67 229.324 5

Activity (Go SEA)

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