UCSF

ZINC20552916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 18 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) 2.22 2.15 -42.62 2 5 -1 87 302.788 3
Mid Mid (pH 6-8) 3.15 2.58 -18.64 3 5 0 88 303.796 2

Activity (Go SEA)

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