UCSF

ZINC19634945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 5.54 12.77 -38.46 1 3 1 17 367.557 10
Mid Mid (pH 6-8) 5.54 12.7 -38.99 1 3 1 17 367.557 10
Mid Mid (pH 6-8) 5.54 10.39 -4.04 0 3 0 16 366.549 10

Activity (Go SEA)

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