UCSF

ZINC22472589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 29 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) 2.59 7.18 -21.77 1 8 0 88 424.429 7
Hi High (pH 8-9.5) 2.66 6.25 -45.72 0 8 -1 94 423.421 7

Activity (Go SEA)

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