UCSF

ZINC44512246

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 2.58 6.61 -102.88 4 2 2 32 260.834 3
Mid Mid (pH 6-8) 2.58 4.4 -44.83 3 2 1 31 259.826 3

Activity (Go SEA)

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