UCSF

ZINC25598889

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 34 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) 0.73 5.88 -19.93 1 10 0 125 479.518 3
Mid Mid (pH 6-8) 1.19 4.1 -53.97 0 10 -1 129 478.51 3

Activity (Go SEA)

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