UCSF

ZINC04168893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 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) 3.97 11.98 -14.2 1 5 0 60 374.897 2
Hi High (pH 8-9.5) 4.15 11.95 -37.87 0 5 -1 61 373.889 2

Activity (Go SEA)

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