UCSF

ZINC09374867

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 26 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) 4.49 10.55 -57.33 0 4 -1 60 368.84 6
Mid Mid (pH 6-8) 4.94 1.14 -17.66 1 4 0 57 369.848 5
Mid Mid (pH 6-8) 3.91 0.62 -9.47 0 4 0 54 369.848 6

Activity (Go SEA)

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