UCSF

ZINC06449920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 26 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) 3.48 7.77 -41.41 3 4 1 54 358.502 11
Hi High (pH 8-9.5) 3.48 5.64 -6.74 2 4 0 53 357.494 11

Activity (Go SEA)

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