UCSF

ZINC69945452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 3.46 8.24 -4.12 0 2 0 16 238.762 2
Mid Mid (pH 6-8) 3.46 8.7 -28.74 1 2 1 17 239.77 2

Activity (Go SEA)

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