UCSF

ZINC59811850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 17 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) 2.01 -0.59 -44.06 5 4 1 77 281.159 4
Mid Mid (pH 6-8) 2.01 0.17 -53.4 4 4 0 80 280.151 4

Activity (Go SEA)

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