UCSF

ZINC09374642

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 26 No

Other Names:

MFCD02161093

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) 4.00 9.35 -52.4 0 4 -1 60 415.238 5
Mid Mid (pH 6-8) 4.44 1.25 -17.24 1 4 0 57 416.246 4
Mid Mid (pH 6-8) 3.41 0.98 -10.09 0 4 0 54 416.246 5

Activity (Go SEA)

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