UCSF

ZINC57170196

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2011 27 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) 2.08 10.67 -48.79 2 5 1 54 366.485 6
Hi High (pH 8-9.5) 2.08 8.8 -18.05 1 5 0 53 365.477 6

Activity (Go SEA)

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