UCSF

ZINC45411034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 19 No

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) 1.00 5.92 -45.72 2 5 1 54 270.397 5
Hi High (pH 8-9.5) 1.00 3.7 -17.27 1 5 0 53 269.389 5

Activity (Go SEA)

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