UCSF

ZINC26952482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 1.52 9.55 -59.84 0 5 -1 65 363.796 3
Mid Mid (pH 6-8) -1.23 8.59 -22.76 1 5 0 68 364.804 2

Activity (Go SEA)

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