UCSF

ZINC19838277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 3.46 6.2 -45.14 3 4 1 54 285.795 5
Mid Mid (pH 6-8) 3.46 7.23 -70.61 2 4 0 57 284.787 5

Activity (Go SEA)

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