UCSF

ZINC37126285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) -0.62 5.3 -51.77 2 7 1 81 297.379 6
Hi High (pH 8-9.5) -0.62 4.09 -18.74 1 7 0 76 296.371 6

Activity (Go SEA)

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