UCSF

ZINC40461020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 1.79 5.45 -38.18 2 4 1 50 239.339 6
Hi High (pH 8-9.5) 1.79 4.26 -10.75 1 4 0 45 238.331 6

Activity (Go SEA)

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