UCSF

ZINC21794387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 5.67 11.47 -40.02 3 7 1 81 452.966 6
Mid Mid (pH 6-8) 5.67 11.3 -35.92 3 7 1 81 452.966 6
Mid Mid (pH 6-8) 5.67 11.02 -16.41 2 7 0 79 451.958 6

Activity (Go SEA)

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