UCSF

ZINC48368090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 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) 3.59 8.37 -35.56 1 2 1 17 288.223 4
Hi High (pH 8-9.5) 3.59 6.08 -4.52 0 2 0 16 287.215 4

Activity (Go SEA)

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