UCSF

ZINC22884486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 4.60 9.73 -15.4 1 6 0 73 397.928 10
Hi High (pH 8-9.5) 4.67 8.82 -42.16 0 6 -1 80 396.92 10

Activity (Go SEA)

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