UCSF

ZINC25444377

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 2.14 6.95 -16.69 2 6 0 84 346.456 7
Hi High (pH 8-9.5) 2.32 5.88 -43.44 1 6 -1 90 345.448 7

Activity (Go SEA)

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