UCSF

ZINC19688078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) 0.44 2.82 -92.37 4 3 2 35 199.342 3
Hi High (pH 8-9.5) 0.44 0.58 -43.41 3 3 1 34 198.334 3

Activity (Go SEA)

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