UCSF

ZINC06813027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

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) 3.74 9.05 -63.84 0 5 -1 70 398.866 7
Mid Mid (pH 6-8) 4.18 0.28 -15.38 1 5 0 66 399.874 6
Mid Mid (pH 6-8) 3.15 -0.07 -13.54 0 5 0 63 399.874 7

Activity (Go SEA)

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