UCSF

ZINC35752715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 31 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) 5.77 11.57 -16.84 2 6 0 84 436.581 10
Hi High (pH 8-9.5) 5.96 9.92 -47.28 1 6 -1 90 435.573 10

Activity (Go SEA)

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