UCSF

ZINC25383874

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 4.54 7.61 -10.37 1 4 0 45 399.585 5
Mid Mid (pH 6-8) 4.54 10.02 -40.04 2 4 1 46 400.593 5
Mid Mid (pH 6-8) 4.54 7.99 -36.68 2 4 1 46 400.593 5
Lo Low (pH 4.5-6) 4.54 10.41 -79.96 3 4 2 48 401.601 5

Activity (Go SEA)

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