UCSF

ZINC19883924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 3.05 6.65 -53.45 0 6 -1 73 443.882 6
Mid Mid (pH 6-8) 3.05 8.97 -65.42 1 6 0 74 444.89 6
Lo Low (pH 4.5-6) 3.05 8.14 -45.91 2 6 1 71 445.898 6

Activity (Go SEA)

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