UCSF

ZINC39247014

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 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) 2.27 9.16 -12.83 0 5 0 67 333.782 2
Mid Mid (pH 6-8) 2.27 10 -40.14 1 5 1 68 334.79 2

Activity (Go SEA)

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