UCSF

ZINC39219084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 23 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) 2.78 3.19 -41.9 5 4 1 77 314.405 4
Hi High (pH 8-9.5) 2.78 2.21 -7.23 4 4 0 73 313.397 4

Activity (Go SEA)

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