UCSF

ZINC60701734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 17 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) 3.36 6.85 -38.6 3 2 1 37 236.379 7
Hi High (pH 8-9.5) 3.36 6.55 -2.66 2 2 0 35 235.371 7

Activity (Go SEA)

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