UCSF

ZINC37839285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.54 8.43 -18.08 0 4 0 51 249.31 5
Hi High (pH 8-9.5) 2.28 7.28 -56.55 0 4 -1 57 248.302 4

Activity (Go SEA)

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