UCSF

ZINC59490920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 15 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) 1.90 6.57 -38.92 1 4 1 40 218.317 10
Mid Mid (pH 6-8) 1.90 4.34 -6.64 0 4 0 39 217.309 10

Activity (Go SEA)

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