UCSF

ZINC21886735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 26 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) 3.50 8.82 -14.44 1 5 0 58 356.445 5
Lo Low (pH 4.5-6) 3.50 9.17 -44.54 2 5 1 59 357.453 5

Activity (Go SEA)

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