UCSF

ZINC28712339

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 25 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) 0.77 3.94 -62.99 2 8 1 80 347.374 4
Hi High (pH 8-9.5) 0.77 2.53 -25.13 1 8 0 76 346.366 4

Activity (Go SEA)

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