UCSF

ZINC22131391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 23 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) 4.62 10.46 -17.98 1 3 0 42 326.396 4
Hi High (pH 8-9.5) 4.69 9.55 -45.49 0 3 -1 48 325.388 4

Activity (Go SEA)

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