UCSF

ZINC26142876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 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) 0.50 5.45 -62.72 2 9 1 95 418.47 8
Mid Mid (pH 6-8) 0.50 3.12 -17.55 1 9 0 93 417.462 8

Activity (Go SEA)

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