UCSF

ZINC37818315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.26 1.29 -49.23 4 7 1 95 297.379 5
Hi High (pH 8-9.5) -0.07 -1.36 -70.87 3 7 0 101 296.371 5

Activity (Go SEA)

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