UCSF

ZINC44626219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.24 3.92 -46.21 2 4 1 56 240.233 4
Hi High (pH 8-9.5) 2.24 2.55 -5.07 1 4 0 51 239.225 4

Activity (Go SEA)

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