UCSF

ZINC44647126

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -0.76 -0.37 -42.91 3 5 1 60 230.332 6
Hi High (pH 8-9.5) -0.76 -1.72 -8.84 2 5 0 56 229.324 6

Activity (Go SEA)

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