UCSF

ZINC41198323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.34 5.12 -32.65 2 4 1 48 291.396 6
Hi High (pH 8-9.5) 2.34 4.62 -6.02 1 4 0 43 290.388 6

Activity (Go SEA)

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