UCSF

ZINC25539173

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 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) 3.64 11.14 -40.94 1 4 1 26 367.904 4
Mid Mid (pH 6-8) 3.64 10.99 -40.74 1 4 1 26 367.904 4
Mid Mid (pH 6-8) 3.64 8.68 -7.78 0 4 0 24 366.896 4

Activity (Go SEA)

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