UCSF

ZINC19263093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 Yes

Other Names:

MFCD00652825

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) 2.46 2.41 -8.99 2 4 0 65 223.32 4
Mid Mid (pH 6-8) 2.46 2.61 -26.68 3 4 1 66 224.328 4

Activity (Go SEA)

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