UCSF

ZINC44686903

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.46 9.4 -36.26 2 2 1 16 309.886 3
Hi High (pH 8-9.5) 2.46 6.98 -2.8 1 2 0 15 308.878 3

Activity (Go SEA)

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