UCSF

ZINC04833805

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 23 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) 5.00 13.02 -37.48 1 2 1 14 310.461 6
Hi High (pH 8-9.5) 5.00 10.79 -4.43 0 2 0 12 309.453 6

Activity (Go SEA)

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