UCSF

ZINC28606588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 30 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) 4.33 11.54 -16.99 1 6 0 77 436.562 6
Hi High (pH 8-9.5) 4.51 10.48 -42.39 0 6 -1 83 435.554 6

Activity (Go SEA)

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