UCSF

ZINC44510343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.15 5.39 -36.06 2 3 1 29 255.426 6
Mid Mid (pH 6-8) 2.15 6.61 -33.08 2 3 1 26 255.426 6

Activity (Go SEA)

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