UCSF

ZINC13029647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 38 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) 4.66 14.1 -24.75 0 10 0 114 518.57 10
Mid Mid (pH 6-8) 0.75 15.82 -34.72 1 10 1 112 519.578 11

Activity (Go SEA)

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