UCSF

ZINC09380686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 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) 5.19 11.8 -57.5 0 5 -1 70 432.883 5
Mid Mid (pH 6-8) 5.63 9.98 -24.77 1 5 0 67 433.891 4
Mid Mid (pH 6-8) 4.60 0.76 -15.91 0 5 0 63 433.891 5

Activity (Go SEA)

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