UCSF

ZINC01230568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 26 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) 3.02 8.07 -45.76 1 6 1 45 357.43 5
Mid Mid (pH 6-8) 3.02 5.84 -9.44 0 6 0 43 356.422 5

Activity (Go SEA)

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