UCSF

ZINC48334250

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 20 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) 1.72 3.92 -10.11 0 5 0 55 278.352 10
Mid Mid (pH 6-8) 1.72 6.23 -42.96 1 5 1 56 279.36 10

Activity (Go SEA)

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