UCSF

ZINC36156472

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.92 3.04 -52.77 3 2 1 45 186.181 2
Mid Mid (pH 6-8) 0.92 2.72 -8.86 2 2 0 43 185.173 2

Activity (Go SEA)

Rings

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