UCSF

ZINC26907812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 1.13 4.61 -9.96 1 4 0 37 247.342 4
Mid Mid (pH 6-8) 1.13 6.72 -43.67 2 4 1 38 248.35 4

Activity (Go SEA)

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