UCSF

ZINC37816280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.45 8.49 -38.64 2 3 1 37 279.791 4
Hi High (pH 8-9.5) 2.45 7.18 -9.01 1 3 0 32 278.783 4

Activity (Go SEA)

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