UCSF

ZINC25521992

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 4.96 8.44 -19.8 3 7 0 96 442.519 10
Lo Low (pH 4.5-6) 4.96 8.88 -50.56 4 7 1 97 443.527 10

Activity (Go SEA)

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