UCSF

ZINC22438697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 4.07 9.82 -39.78 1 5 1 48 340.495 3
Hi High (pH 8-9.5) 4.07 7.36 -15.36 0 5 0 47 339.487 3

Activity (Go SEA)

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