UCSF

ZINC22789767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 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) 2.76 9.54 -52.33 2 8 1 73 434.52 6
Hi High (pH 8-9.5) 2.76 7.29 -16.83 1 8 0 72 433.512 6

Activity (Go SEA)

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