UCSF

ZINC24715999

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 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) 2.66 8.53 -22.84 1 9 0 108 433.515 9
Hi High (pH 8-9.5) 2.85 7.46 -54.89 0 9 -1 115 432.507 9

Activity (Go SEA)

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